 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_B3LYPDBJ_augccpVDZ.in
 Output=26_junionone_conformer15_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-66872.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     66873.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer15_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:54:56 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:54:56 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Thu Aug 12 19:54:56 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0458833545 Hartrees.
 Nuclear repulsion after empirical dispersion term =      611.7799230319 Hartrees.
 Leave Link  301 at Thu Aug 12 19:54:58 2021, MaxMem=  5368709120 cpu:              10.4 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 19:54:58 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:54:59 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:54:59 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.980942735165    
 DIIS: error= 2.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.980942735165     IErMin= 1 ErrMin= 2.39D-03
 ErrMax= 2.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.08D-03 BMatP= 5.08D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.191 Goal=   None    Shift=    0.000
 GapD=    0.191 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.44D-02 MaxDP=4.79D+00              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.81D-02    CP:  1.67D+00
 E= -465.985314367359     Delta-E=       -0.004371632194 Rises=F Damp=F
 DIIS: error= 3.27D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.985314367359     IErMin= 2 ErrMin= 3.27D-04
 ErrMax= 3.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-04 BMatP= 5.08D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.27D-03
 Coeff-Com:  0.231D-01 0.977D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.230D-01 0.977D+00
 Gap=     0.195 Goal=   None    Shift=    0.000
 RMSDP=1.08D-03 MaxDP=1.58D-01 DE=-4.37D-03 OVMax= 9.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.31D-04    CP:  1.69D+00  1.03D+00
 E= -465.985011135765     Delta-E=        0.000303231594 Rises=F Damp=F
 DIIS: error= 6.82D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.985314367359     IErMin= 2 ErrMin= 3.27D-04
 ErrMax= 6.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-04 BMatP= 1.23D-04
 IDIUse=3 WtCom= 2.77D-01 WtEn= 7.23D-01
 Coeff-Com: -0.796D-02 0.678D+00 0.330D+00
 Coeff-En:   0.000D+00 0.753D+00 0.247D+00
 Coeff:     -0.220D-02 0.732D+00 0.270D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=1.00D-02 DE= 3.03D-04 OVMax= 5.47D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.43D-05    CP:  1.69D+00  1.03D+00  8.50D-01
 E= -465.985408318982     Delta-E=       -0.000397183217 Rises=F Damp=F
 DIIS: error= 8.43D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.985408318982     IErMin= 4 ErrMin= 8.43D-05
 ErrMax= 8.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-05 BMatP= 1.23D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.491D-02 0.249D+00 0.203D-01 0.736D+00
 Coeff:     -0.491D-02 0.249D+00 0.203D-01 0.736D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.14D-05 MaxDP=4.72D-03 DE=-3.97D-04 OVMax= 8.36D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.84D-05    CP:  1.69D+00  1.03D+00  8.16D-01  1.23D+00
 E= -465.985417310404     Delta-E=       -0.000008991422 Rises=F Damp=F
 DIIS: error= 1.62D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.985417310404     IErMin= 5 ErrMin= 1.62D-05
 ErrMax= 1.62D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.77D-07 BMatP= 1.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-02 0.228D-01-0.329D-01 0.365D+00 0.647D+00
 Coeff:     -0.112D-02 0.228D-01-0.329D-01 0.365D+00 0.647D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.23D-05 MaxDP=7.66D-04 DE=-8.99D-06 OVMax= 1.53D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.18D-06    CP:  1.69D+00  1.03D+00  8.26D-01  1.24D+00  7.85D-01
 E= -465.985417777453     Delta-E=       -0.000000467049 Rises=F Damp=F
 DIIS: error= 4.32D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.985417777453     IErMin= 6 ErrMin= 4.32D-06
 ErrMax= 4.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-08 BMatP= 4.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.413D-03 0.249D-02-0.184D-01 0.169D+00 0.341D+00 0.506D+00
 Coeff:     -0.413D-03 0.249D-02-0.184D-01 0.169D+00 0.341D+00 0.506D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=2.89D-06 MaxDP=2.62D-04 DE=-4.67D-07 OVMax= 7.90D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.28D-06    CP:  1.69D+00  1.03D+00  8.28D-01  1.24D+00  8.16D-01
                    CP:  9.24D-01
 E= -465.985417804364     Delta-E=       -0.000000026911 Rises=F Damp=F
 DIIS: error= 1.44D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.985417804364     IErMin= 7 ErrMin= 1.44D-06
 ErrMax= 1.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-09 BMatP= 2.98D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.665D-04-0.144D-02-0.497D-02 0.378D-01 0.840D-01 0.264D+00
 Coeff-Com:  0.620D+00
 Coeff:     -0.665D-04-0.144D-02-0.497D-02 0.378D-01 0.840D-01 0.264D+00
 Coeff:      0.620D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=9.52D-07 MaxDP=7.02D-05 DE=-2.69D-08 OVMax= 3.28D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.84D-07    CP:  1.69D+00  1.03D+00  8.28D-01  1.24D+00  8.21D-01
                    CP:  9.42D-01  9.12D-01
 E= -465.985417806934     Delta-E=       -0.000000002571 Rises=F Damp=F
 DIIS: error= 6.17D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.985417806934     IErMin= 8 ErrMin= 6.17D-07
 ErrMax= 6.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-10 BMatP= 2.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.575D-05-0.108D-02-0.153D-02 0.930D-02 0.232D-01 0.117D+00
 Coeff-Com:  0.372D+00 0.481D+00
 Coeff:     -0.575D-05-0.108D-02-0.153D-02 0.930D-02 0.232D-01 0.117D+00
 Coeff:      0.372D+00 0.481D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=3.24D-07 MaxDP=1.76D-05 DE=-2.57D-09 OVMax= 1.16D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.65D-07    CP:  1.69D+00  1.03D+00  8.28D-01  1.24D+00  8.18D-01
                    CP:  9.50D-01  9.16D-01  7.98D-01
 E= -465.985417807550     Delta-E=       -0.000000000616 Rises=F Damp=F
 DIIS: error= 1.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.985417807550     IErMin= 9 ErrMin= 1.39D-07
 ErrMax= 1.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-11 BMatP= 4.97D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.540D-05-0.276D-03 0.542D-06-0.991D-03-0.947D-03 0.172D-01
 Coeff-Com:  0.840D-01 0.214D+00 0.687D+00
 Coeff:      0.540D-05-0.276D-03 0.542D-06-0.991D-03-0.947D-03 0.172D-01
 Coeff:      0.840D-01 0.214D+00 0.687D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=9.44D-08 MaxDP=1.09D-05 DE=-6.16D-10 OVMax= 1.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.33D-08    CP:  1.69D+00  1.03D+00  8.28D-01  1.24D+00  8.19D-01
                    CP:  9.51D-01  9.21D-01  8.36D-01  8.78D-01
 E= -465.985417807482     Delta-E=        0.000000000068 Rises=F Damp=F
 DIIS: error= 2.96D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -465.985417807550     IErMin=10 ErrMin= 2.96D-08
 ErrMax= 2.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-12 BMatP= 2.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-05-0.842D-04 0.446D-04-0.691D-03-0.107D-02 0.373D-02
 Coeff-Com:  0.227D-01 0.752D-01 0.295D+00 0.606D+00
 Coeff:      0.264D-05-0.842D-04 0.446D-04-0.691D-03-0.107D-02 0.373D-02
 Coeff:      0.227D-01 0.752D-01 0.295D+00 0.606D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=1.84D-08 MaxDP=1.24D-06 DE= 6.78D-11 OVMax= 2.25D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.36D-08    CP:  1.69D+00  1.03D+00  8.28D-01  1.24D+00  8.19D-01
                    CP:  9.52D-01  9.22D-01  8.41D-01  9.03D-01  9.35D-01
 E= -465.985417807537     Delta-E=       -0.000000000054 Rises=F Damp=F
 DIIS: error= 1.04D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -465.985417807550     IErMin=11 ErrMin= 1.04D-08
 ErrMax= 1.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-13 BMatP= 1.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.586D-06-0.748D-05 0.204D-04-0.217D-03-0.418D-03-0.217D-03
 Coeff-Com:  0.597D-03 0.105D-01 0.568D-01 0.283D+00 0.650D+00
 Coeff:      0.586D-06-0.748D-05 0.204D-04-0.217D-03-0.418D-03-0.217D-03
 Coeff:      0.597D-03 0.105D-01 0.568D-01 0.283D+00 0.650D+00
 Gap=     0.191 Goal=   None    Shift=    0.000
 RMSDP=6.13D-09 MaxDP=4.06D-07 DE=-5.41D-11 OVMax= 7.02D-08

 SCF Done:  E(RB3LYP) =  -465.985417808     A.U. after   11 cycles
            NFock= 11  Conv=0.61D-08     -V/T= 2.0061
 KE= 4.631407806787D+02 PE=-2.305008158295D+03 EE= 7.641020367768D+02
 Leave Link  502 at Thu Aug 12 19:57:56 2021, MaxMem=  5368709120 cpu:            1410.4 elap:             176.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.86564365D+02

 Leave Link  801 at Thu Aug 12 19:57:56 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 7.11D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.57D-01 9.42D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 4.96D-02 7.42D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.94D-03 2.04D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.99D-04 3.41D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.29D-05 5.70D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 3.60D-07 1.09D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 7.48D-09 1.80D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.40D-10 2.42D-06.
     10 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.44D-12 1.90D-07.
      3 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 2.33D-14 1.67D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 9.95D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.174092D+03
      2 -0.561421D+01  0.123502D+03
      3  0.697644D+01 -0.326478D+01  0.104220D+03
 Isotropic polarizability for W=    0.085645      133.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.678793D+02 -0.153564D+02  0.372062D+02
      2  -0.170092D+02  0.183377D+02 -0.190911D+02
      3  -0.508701D+02 -0.298124D+01 -0.181151D+02
      4   0.401922D+01 -0.343208D+02 -0.347028D+02
      5   0.325537D+02 -0.332349D+02 -0.908216D+02
      6  -0.111052D+02 -0.561550D+01  0.283793D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.289587D+01 -0.176329D+01 -0.117901D+02
      2   0.462741D+02 -0.151484D+02 -0.369229D+02
      3  -0.427740D+01  0.187155D+02  0.132050D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.146789D+01  0.134756D+02 -0.313605D+02
      2   0.465252D+01 -0.235976D+02 -0.399515D+02
      3   0.193757D+02  0.173116D+02  0.221297D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.604702D+00 -0.886169D+01  0.251877D+01
      2  -0.886169D+01  0.215104D+01  0.172184D+01
      3   0.251877D+01  0.172184D+01 -0.593822D+00
 OR G Eigenvalues:    -9.2575     0.4576     9.7525  Iso=    -0.3175
 Eigenvectors:
   (1)   0.720509   0.609558  -0.330615
   (2)   0.229236   0.240598   0.943167
   (3)  -0.654460   0.755349  -0.033621
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3175 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -98.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.56D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.10D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.66D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.20D-02 5.61D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.07D-03 5.03D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 1.98D-05 6.10D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 2.33D-07 5.10D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.54D-09 2.96D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 6.24D-12 2.13D-07.
     11 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.83D-14 9.48D-09.
      3 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 3.83D-15 1.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.00D-15
 Solved reduced A of dimension   224 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.92D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.92D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.174092D+03 -0.561421D+01  0.697644D+01
      2  -0.561421D+01  0.123502D+03 -0.326478D+01
      3   0.697644D+01 -0.326478D+01  0.104220D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.289587D+01 -0.176329D+01 -0.117901D+02
      2   0.462741D+02 -0.151484D+02 -0.369229D+02
      3  -0.427740D+01  0.187155D+02  0.132050D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.678793D+02 -0.153564D+02  0.372062D+02
      2  -0.170092D+02  0.183377D+02 -0.190911D+02
      3  -0.508701D+02 -0.298124D+01 -0.181151D+02
      4   0.401922D+01 -0.343208D+02 -0.347028D+02
      5   0.325537D+02 -0.332349D+02 -0.908216D+02
      6  -0.111052D+02 -0.561550D+01  0.283793D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.394572D+01 -0.196992D+01 -0.426769D+01 -0.947992D+00 -0.400603D+01
      2  -0.196992D+01 -0.387732D+01  0.226125D+01 -0.400603D+01 -0.204030D+01
      3  -0.426769D+01  0.226125D+01  0.375695D+01  0.236569D+01 -0.217462D+01
                 6             7             8             9            10 
      1   0.236569D+01 -0.314636D+01  0.277986D+01  0.351405D+01 -0.269792D+02
      2  -0.217462D+01  0.277986D+01 -0.123727D+01  0.894676D+00  0.427622D+01
      3   0.180207D+01  0.351405D+01  0.894676D+00  0.110155D+01  0.349361D+01
                11            12            13            14            15 
      1   0.427622D+01  0.349361D+01  0.149152D+02  0.208348D+01 -0.305409D+01
      2   0.280881D+01 -0.233422D+01  0.208348D+01  0.465849D+01  0.149206D+01
      3  -0.233422D+01 -0.385449D+01 -0.305409D+01  0.149206D+01 -0.107468D+01
                16            17            18            19            20 
      1   0.165356D+02 -0.406628D+01 -0.604625D+01  0.409987D+02 -0.481231D+01
      2  -0.406628D+01  0.308309D+01 -0.476260D+00 -0.481231D+01  0.322486D+01
      3  -0.604625D+01 -0.476260D+00 -0.325062D+01  0.853427D+00  0.106745D+01
                21            22            23            24            25 
      1   0.853427D+00 -0.135858D+02  0.299083D+01  0.221087D+01 -0.646848D+01
      2   0.106745D+01  0.299083D+01  0.157422D+01 -0.175139D+01  0.251241D+01
      3   0.300405D+01  0.221087D+01 -0.175139D+01 -0.246537D+01  0.679562D+01
                26            27            28            29            30 
      1   0.251241D+01  0.679562D+01 -0.556181D+02  0.481004D+01 -0.469087D+01
      2  -0.307738D+01 -0.186568D+01  0.481004D+01 -0.237109D+01 -0.241764D+00
      3  -0.186568D+01  0.551647D+01 -0.469087D+01 -0.241764D+00 -0.236464D+01
                31            32            33            34            35 
      1   0.158048D+02 -0.448606D+01  0.888688D+00 -0.154716D+02  0.496716D-01
      2  -0.448606D+01 -0.155017D+01  0.118708D+01  0.496716D-01  0.103658D+01
      3   0.888688D+00  0.118708D+01  0.189649D+01 -0.665760D+01  0.102185D+01
                36            37            38            39            40 
      1  -0.665760D+01  0.519427D+02 -0.694707D+01  0.641418D+01 -0.121378D+02
      2   0.102185D+01 -0.694707D+01  0.870061D+00 -0.342155D+00  0.371307D+01
      3  -0.488241D+01  0.641418D+01 -0.342155D+00  0.244161D+01 -0.600286D+00
                41            42            43            44            45 
      1   0.371307D+01 -0.600286D+00  0.160271D+02 -0.113118D+01  0.543271D+01
      2   0.274384D+01 -0.174763D+01 -0.113118D+01 -0.189116D+01 -0.131182D+01
      3  -0.174763D+01 -0.216347D+01  0.543271D+01 -0.131182D+01  0.261389D+01
                46            47            48            49            50 
      1  -0.380565D+02  0.758086D+01 -0.708684D+01  0.106709D+02 -0.429555D+01
      2   0.758086D+01 -0.174898D+01  0.207721D+01 -0.429555D+01 -0.346132D+01
      3  -0.708684D+01  0.207721D+01 -0.727659D+00  0.336198D+01  0.370915D+00
                51            52            53            54            55 
      1   0.336198D+01 -0.106198D+02  0.314604D+01 -0.161071D+01  0.338133D+02
      2   0.370915D+00  0.314604D+01  0.674547D+00  0.895273D+00 -0.688147D+01
      3   0.104755D+01 -0.161071D+01  0.895273D+00 -0.680272D+00  0.555910D+01
                56            57            58            59            60 
      1  -0.688147D+01  0.555910D+01 -0.243060D+02  0.727631D+01 -0.418921D+01
      2   0.266982D+01 -0.128213D+01  0.727631D+01 -0.469000D+01  0.166311D+01
      3  -0.128213D+01  0.186612D+01 -0.418921D+01  0.166311D+01 -0.172407D+01
                61            62            63            64            65 
      1   0.120807D+02 -0.197548D+01  0.614213D+01  0.712589D+01 -0.293579D+01
      2  -0.197548D+01  0.669400D+00 -0.266596D+01 -0.293579D+01 -0.345657D+01
      3   0.614213D+01 -0.266596D+01  0.360446D+01 -0.231177D+01  0.289101D+01
                66            67            68            69            70 
      1  -0.231177D+01 -0.244817D+01 -0.243467D+01  0.313453D+01 -0.503873D+01
      2   0.289101D+01 -0.243467D+01 -0.363975D+01 -0.519630D+00  0.325986D+01
      3   0.287323D+01  0.313453D+01 -0.519630D+00  0.195522D+01  0.414311D+01
                71            72            73            74            75 
      1   0.325986D+01  0.414311D+01  0.358218D+01  0.233491D+01  0.143303D+01
      2  -0.139245D+01  0.623562D+00  0.233491D+01 -0.291563D+01 -0.953840D+00
      3   0.623562D+00  0.479794D+01  0.143303D+01 -0.953840D+00  0.305640D+01
                76            77            78            79            80 
      1   0.340792D+01 -0.286161D+01 -0.196678D+01 -0.156054D+01 -0.148502D+01
      2  -0.286161D+01 -0.602800D+01 -0.441491D+00 -0.148502D+01 -0.958543D+00
      3  -0.196678D+01 -0.441491D+00  0.139626D+01  0.554271D+01  0.236038D+01
                81            82            83            84            85 
      1   0.554271D+01  0.386826D+01 -0.236136D+01 -0.222709D+01 -0.360529D+01
      2   0.236038D+01 -0.236136D+01 -0.174758D+01  0.186474D+01 -0.245540D+01
      3  -0.141923D+01 -0.222709D+01  0.186474D+01 -0.783674D+00  0.152365D+01
                86            87            88            89            90 
      1  -0.245540D+01  0.152365D+01 -0.233252D+01  0.200922D+01 -0.124576D+01
      2   0.166124D+01  0.305584D+01  0.200922D+01  0.434588D+01  0.283200D+01
      3   0.305584D+01  0.216127D+01 -0.124576D+01  0.283200D+01 -0.443011D+00
                91            92            93            94            95 
      1  -0.924773D+01 -0.205158D+01 -0.218940D+01  0.491146D+00  0.400862D+01
      2  -0.205158D+01  0.394281D+01 -0.141376D+00  0.400862D+01  0.192077D+01
      3  -0.218940D+01 -0.141376D+00  0.193775D+01 -0.158611D+00 -0.141550D+01
                96            97            98            99           100 
      1  -0.158611D+00 -0.336634D+01 -0.308159D+00  0.407524D+00 -0.659865D+01
      2  -0.141550D+01 -0.308159D+00 -0.134709D+01 -0.275104D+01 -0.172848D+01
      3  -0.187463D+01  0.407524D+00 -0.275104D+01  0.393976D+01 -0.280657D+01
               101           102           103           104           105 
      1  -0.172848D+01 -0.280657D+01 -0.236259D+00 -0.909681D+00 -0.143543D+00
      2  -0.126735D+01 -0.522522D+00 -0.909681D+00 -0.258288D+00 -0.517203D+00
      3  -0.522522D+00 -0.225669D+01 -0.143543D+00 -0.517203D+00 -0.338199D+00
               106           107           108           109           110 
      1  -0.519791D+01 -0.856603D+00 -0.323815D+01 -0.287672D+01 -0.164474D+01
      2  -0.856603D+00 -0.139815D+01 -0.110328D+01 -0.164474D+01 -0.774162D+00
      3  -0.323815D+01 -0.110328D+01 -0.278830D+01  0.190861D+01  0.875653D+00
               111           112           113           114           115 
      1   0.190861D+01 -0.707476D+00 -0.144141D+01  0.104847D+01  0.516848D+01
      2   0.875653D+00 -0.144141D+01 -0.135708D+01  0.132780D+01  0.212190D+01
      3  -0.199701D+01  0.104847D+01  0.132780D+01 -0.131065D+01 -0.433028D+01
               116           117           118           119           120 
      1   0.212190D+01 -0.433028D+01 -0.645729D+01  0.102811D+01 -0.196340D+01
      2   0.237166D+01 -0.221680D+01  0.102811D+01 -0.479261D+00  0.120390D-01
      3  -0.221680D+01  0.534690D+01 -0.196340D+01  0.120390D-01 -0.189499D+01
               121           122           123           124           125 
      1   0.507280D+01 -0.116417D+01  0.184165D+00 -0.328126D+01 -0.943731D-01
      2  -0.116417D+01  0.193297D+00 -0.992417D+00 -0.943731D-01 -0.115101D+01
      3   0.184165D+00 -0.992417D+00  0.117857D+01 -0.377497D+01  0.966074D+00
               126           127           128           129           130 
      1  -0.377497D+01  0.198733D+01 -0.229399D+00  0.963708D+00 -0.326384D+00
      2   0.966074D+00 -0.229399D+00  0.155832D+01 -0.800639D+00  0.827497D+00
      3  -0.881718D+01  0.963708D+00 -0.800639D+00  0.128086D+01 -0.540428D+00
               131           132           133           134           135 
      1   0.827497D+00 -0.540428D+00  0.173964D+01 -0.683209D+00  0.903116D+00
      2  -0.231902D+01  0.872139D+00 -0.683209D+00  0.199123D+01 -0.179411D+01
      3   0.872139D+00 -0.116305D+01  0.903116D+00 -0.179411D+01  0.291425D+01
               136           137           138           139           140 
      1  -0.985963D+00 -0.101988D+01 -0.437156D+00 -0.989876D-01 -0.445627D+00
      2  -0.101988D+01 -0.220600D+00 -0.249939D+00 -0.445627D+00 -0.739238D+01
      3  -0.437156D+00 -0.249939D+00 -0.225893D-01 -0.258231D+00 -0.348139D+01
               141           142           143           144           145 
      1  -0.258231D+00 -0.104321D+01 -0.475505D+00  0.713687D-01  0.214341D+01
      2  -0.348139D+01 -0.475505D+00 -0.511603D+01 -0.367297D+01  0.194955D+01
      3  -0.238962D+01  0.713687D-01 -0.367297D+01 -0.332028D+01  0.644253D+00
               146           147           148           149           150 
      1   0.194955D+01  0.644253D+00  0.165305D+01  0.238078D+01  0.215433D+00
      2   0.283868D+01  0.570966D+00  0.238078D+01  0.559846D+01  0.151308D+01
      3   0.570966D+00  0.773416D+00  0.215433D+00  0.151308D+01  0.149284D+01
               151           152           153           154           155 
      1  -0.284437D+00 -0.657643D-01  0.231463D+00  0.182695D+01 -0.863431D+00
      2  -0.657643D-01  0.933633D-01  0.601432D+00 -0.863431D+00  0.152311D+01
      3   0.231463D+00  0.601432D+00  0.333075D+00  0.132683D+01 -0.739422D+00
               156           157           158           159           160 
      1   0.132683D+01 -0.129991D+01  0.140677D+01 -0.936666D+00  0.904527D+00
      2  -0.739422D+00  0.140677D+01 -0.235104D+01  0.136077D+01 -0.721765D+00
      3   0.148501D+01 -0.936666D+00  0.136077D+01 -0.268362D+01  0.750869D+00
               161           162           163           164           165 
      1  -0.721765D+00  0.750869D+00 -0.569158D+01  0.169395D+01  0.394225D+01
      2   0.117691D+01 -0.122548D+01  0.169395D+01 -0.120567D+01 -0.155766D+01
      3  -0.122548D+01  0.256902D+01  0.394225D+01 -0.155766D+01 -0.447020D+01
               166           167           168           169           170 
      1   0.642765D+00 -0.733839D+00 -0.854273D+00  0.220480D+01 -0.107527D+01
      2  -0.733839D+00  0.123769D+01  0.134417D+01 -0.107527D+01  0.100935D+01
      3  -0.854273D+00  0.134417D+01  0.852956D+00 -0.320653D+01  0.130608D+01
               171           172           173           174           175 
      1  -0.320653D+01 -0.245268D+01  0.326035D+00 -0.167838D+01 -0.939050D+00
      2   0.130608D+01  0.326035D+00 -0.917082D-01 -0.196601D+00  0.504855D-01
      3   0.457356D+01 -0.167838D+01 -0.196601D+00 -0.220239D+01 -0.865566D+00
               176           177           178           179           180 
      1   0.504855D-01 -0.865566D+00 -0.240891D+01  0.196367D+00 -0.336585D+01
      2  -0.346826D+00 -0.746462D+00  0.196367D+00 -0.137072D+01  0.193623D+00
      3  -0.746462D+00 -0.151047D+01 -0.336585D+01  0.193623D+00 -0.711866D+01
               181           182           183           184           185 
      1   0.110628D+01  0.136300D+01  0.344249D-01  0.158130D+01  0.876499D+00
      2   0.136300D+01  0.391587D+01 -0.887730D+00  0.876499D+00  0.800746D+01
      3   0.344249D-01 -0.887730D+00  0.642174D+00 -0.253496D+00 -0.122916D+01
               186           187           188           189           190 
      1  -0.253496D+00  0.443274D+00 -0.488565D+00 -0.152274D+00 -0.834490D+01
      2  -0.122916D+01 -0.488565D+00 -0.565780D+00  0.108569D+01  0.364537D+01
      3   0.102610D+01 -0.152274D+00  0.108569D+01 -0.863607D+00  0.204252D+01
               191           192           193           194           195 
      1   0.364537D+01  0.204252D+01  0.164535D+01 -0.187670D+01 -0.823039D+00
      2  -0.206796D+01 -0.897332D+00 -0.187670D+01  0.214279D+01  0.610598D+00
      3  -0.897332D+00 -0.187032D+01 -0.823039D+00  0.610598D+00  0.342548D+00
               196           197           198           199           200 
      1   0.528006D+01 -0.235633D+01 -0.237841D+01 -0.459502D+00  0.147349D+01
      2  -0.235633D+01  0.209404D+01  0.926456D+00  0.147349D+01  0.824646D+00
      3  -0.237841D+01  0.926456D+00  0.153152D+01 -0.663110D+00 -0.137405D+00
               201           202           203           204           205 
      1  -0.663110D+00  0.183137D+01  0.109477D+01  0.421615D-01 -0.196262D+01
      2  -0.137405D+00  0.109477D+01  0.578416D+01 -0.174995D+01  0.437723D+00
      3  -0.117606D+00  0.421615D-01 -0.174995D+01  0.116287D+01  0.842758D+00
               206           207           208           209           210 
      1   0.437723D+00  0.842758D+00  0.249848D+00 -0.106558D+01  0.348726D+00
      2  -0.142034D+01  0.916480D+00 -0.106558D+01  0.292656D-01 -0.721927D-01
      3   0.916480D+00 -0.493146D+00  0.348726D+00 -0.721927D-01  0.168645D+00
               211           212           213           214           215 
      1  -0.228996D+01 -0.385861D+00 -0.826660D-01  0.665285D+00 -0.616351D-01
      2  -0.385861D+00 -0.688985D+01  0.115497D+01 -0.616351D-01  0.158362D+01
      3  -0.826660D-01  0.115497D+01 -0.100724D+01 -0.300725D+00 -0.845553D+00
               216           217           218           219           220 
      1  -0.300725D+00  0.129278D+01  0.280873D+00 -0.499152D+00  0.138904D+01
      2  -0.845553D+00  0.280873D+00 -0.982069D+00  0.203607D+00  0.207204D+00
      3   0.394607D+00 -0.499152D+00  0.203607D+00 -0.670101D+00  0.370149D-01
               221           222           223           224           225 
      1   0.207204D+00  0.370149D-01 -0.218150D+01 -0.107901D+01  0.778170D+00
      2   0.146826D+01 -0.106194D+01 -0.107901D+01 -0.253137D+01  0.254727D+01
      3  -0.106194D+01  0.139033D+01  0.778170D+00  0.254727D+01 -0.698199D+01
               226           227           228           229           230 
      1   0.104634D+02  0.300988D+01  0.785222D+00  0.124121D+01  0.103690D+01
      2   0.300988D+01  0.183187D+01  0.209472D+00  0.103690D+01  0.763429D+00
      3   0.785222D+00  0.209472D+00  0.118402D+01  0.164413D+00  0.302189D+00
               231           232           233           234           235 
      1   0.164413D+00  0.170540D+01  0.561768D+00  0.122748D+01 -0.577967D+00
      2   0.302189D+00  0.561768D+00  0.618339D+00  0.699176D+00  0.738722D+00
      3   0.312654D+00  0.122748D+01  0.699176D+00  0.189940D+00  0.107153D+01
               236           237           238           239           240 
      1   0.738722D+00  0.107153D+01  0.258224D+01 -0.456587D+00 -0.450184D+00
      2  -0.283217D+01 -0.676478D+00 -0.456587D+00  0.456993D+01  0.157407D+01
      3  -0.676478D+00 -0.123789D+01 -0.450184D+00  0.157407D+01  0.168735D+01
               241           242           243 
      1   0.160925D+01 -0.150672D+00 -0.475559D+00
      2  -0.150672D+00  0.270928D+01  0.205895D+01
      3  -0.475559D+00  0.205895D+01  0.163178D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.126301D+01 -0.116763D+02  0.179874D+01 -0.120165D+02 -0.307684D+01
      2   0.863361D+01  0.107595D+01  0.516420D+01 -0.911372D+00  0.131189D+02
      3  -0.238690D+01 -0.113473D+02 -0.105256D+01 -0.684974D+01 -0.838462D+01
                 6             7             8             9            10 
      1  -0.915201D+01  0.223015D+01 -0.238267D+01  0.320299D+01 -0.105352D+02
      2  -0.799832D+01 -0.257396D+01 -0.606624D+01 -0.805652D+01 -0.316072D+02
      3  -0.609990D+00  0.198020D+01  0.205298D+00  0.457543D+01  0.404610D+01
                11            12            13            14            15 
      1   0.626007D+01  0.280374D+01  0.585386D+01 -0.587759D+00 -0.359528D+01
      2   0.822749D+01  0.130531D+02  0.201962D+02 -0.762546D+01  0.256123D+01
      3   0.759851D+01 -0.225692D+01  0.126615D+02  0.156790D+02  0.196283D+01
                16            17            18            19            20 
      1   0.608211D+01  0.572798D+01  0.112683D+01  0.132263D+02 -0.439854D+01
      2   0.192088D+02  0.135880D+01  0.461086D+01  0.305318D+02 -0.597685D+01
      3  -0.392185D+01  0.107692D+01 -0.437370D+01 -0.542373D+01 -0.432293D+01
                21            22            23            24            25 
      1  -0.326019D+01 -0.642467D+01 -0.570688D+01 -0.450567D+00 -0.925244D+01
      2   0.754719D+00 -0.166879D+02  0.518330D+01  0.460868D+01 -0.215484D+02
      3  -0.859694D+00  0.881391D+01 -0.170574D+01 -0.889398D+00 -0.287679D+01
                26            27            28            29            30 
      1   0.462909D+01  0.297989D+01 -0.125052D+02  0.173808D+01  0.164059D+01
      2   0.414498D+01  0.288161D+01 -0.321018D+02  0.233157D+01 -0.806643D+01
      3  -0.140340D+01 -0.201256D+01  0.749977D+01  0.326447D+01  0.256177D+01
                31            32            33            34            35 
      1   0.377775D+01  0.285003D+01 -0.243614D+01  0.567472D+01  0.295437D+01
      2   0.953158D+01 -0.310986D+01  0.216194D+01 -0.459032D+02  0.328749D+01
      3   0.190826D+02 -0.167513D+01  0.845968D+00  0.873994D+01  0.197187D+01
                36            37            38            39            40 
      1  -0.699723D+00  0.981477D+01 -0.167930D+01 -0.360372D+01 -0.911215D+01
      2  -0.104546D+02  0.392445D+02 -0.346386D+01  0.132176D+02 -0.702954D+01
      3   0.104535D+01  0.218084D+01 -0.661335D+01 -0.217182D+01  0.104902D+02
                41            42            43            44            45 
      1   0.425273D+00 -0.212287D+01 -0.761719D+01  0.776125D+00 -0.140378D+01
      2  -0.128408D+01  0.252594D+00  0.148738D+02 -0.556259D+00  0.739585D+01
      3  -0.126249D+02  0.519528D+01 -0.603348D+01  0.322069D+01  0.244328D+00
                46            47            48            49            50 
      1  -0.900914D+01 -0.135510D+01  0.104100D+02 -0.849771D+00  0.670523D+01
      2  -0.233286D+02  0.442718D+01 -0.191250D+02  0.385148D+01 -0.901937D-01
      3  -0.108777D+02  0.105934D+02  0.283585D+01  0.198177D+02  0.103210D+02
                51            52            53            54            55 
      1   0.378227D+01  0.348208D+01  0.162086D+02 -0.295112D+01  0.523942D+01
      2   0.351533D+01 -0.277698D+02 -0.172079D+01 -0.827138D+01  0.196174D+02
      3   0.625152D+00  0.608039D+00  0.376170D+01 -0.151626D+01  0.455219D+01
                56            57            58            59            60 
      1   0.147625D+01 -0.254024D+01 -0.213527D+01 -0.228180D+01 -0.448032D+01
      2  -0.385074D+01  0.187010D+02 -0.133735D+02  0.527837D+01 -0.119147D+02
      3  -0.175157D+02 -0.223838D+00 -0.732258D+01  0.154203D+02 -0.251235D+01
                61            62            63            64            65 
      1   0.326613D+01 -0.969641D+00  0.196516D+01  0.667546D+01 -0.439995D+01
      2   0.159450D+02 -0.547861D+01  0.142375D+02  0.108509D+02 -0.114715D+02
      3   0.103165D+00 -0.622770D+01  0.487254D+01  0.820899D+00 -0.207645D+02
                66            67            68            69            70 
      1  -0.819286D+01 -0.400381D+01  0.403247D+01 -0.413174D+01 -0.125062D+02
      2  -0.910939D+01 -0.102249D+02  0.347712D+00 -0.347987D+01 -0.182446D+02
      3   0.608348D+01 -0.770332D+01 -0.206436D+02  0.411820D+01  0.435712D+01
                71            72            73            74            75 
      1   0.241865D+01 -0.100064D+02  0.372874D+01 -0.380948D+01  0.393692D+01
      2   0.916901D+00 -0.128007D+02 -0.146123D+01  0.209809D+01 -0.978510D+01
      3   0.376596D+01  0.941035D+01  0.791649D+01 -0.186485D+02 -0.804859D+01
                76            77            78            79            80 
      1  -0.179687D+01 -0.335783D+01  0.362297D+00  0.799473D+01  0.597115D+01
      2   0.545017D+01  0.251218D+01 -0.540922D+01 -0.250703D+02 -0.916197D+01
      3  -0.839781D+01 -0.161206D+02  0.101025D+00 -0.806724D+01  0.125010D+01
                81            82            83            84            85 
      1  -0.161743D+01 -0.376733D+01  0.727219D+01 -0.262031D+01  0.999446D+01
      2   0.570954D+01  0.491685D+01 -0.324769D+01  0.230580D+01 -0.639852D+01
      3   0.203478D+01 -0.107494D+02  0.885731D+00  0.896374D+01  0.925621D+01
                86            87            88            89            90 
      1   0.100371D+02  0.148948D+01 -0.147720D+01  0.968362D+01 -0.142792D+01
      2  -0.419302D+01 -0.113483D+01 -0.177379D+01 -0.611781D+00  0.318096D+00
      3   0.691252D+01 -0.103677D+01  0.115540D+02 -0.854904D+00  0.730852D+01
                91            92            93            94            95 
      1   0.307384D+01 -0.300040D+01 -0.624177D+01  0.337368D+00  0.308405D+01
      2  -0.101869D+02 -0.465508D+00  0.918241D+01  0.226887D+00 -0.393675D+01
      3  -0.159002D+01 -0.223919D+02 -0.348001D+01 -0.100942D+02 -0.824958D+00
                96            97            98            99           100 
      1  -0.146662D-01  0.498879D+01  0.123092D+02 -0.770532D+01 -0.354530D+01
      2  -0.500686D+01 -0.377643D+01 -0.112612D+02  0.143734D+02  0.862429D+01
      3   0.566651D+01 -0.244525D+01  0.706066D+01  0.133371D+02  0.383631D+01
               101           102           103           104           105 
      1   0.466854D+00 -0.348535D+01 -0.280213D+00 -0.481385D+00 -0.138708D+01
      2   0.121767D+01  0.967730D+01  0.999707D+00  0.127431D+01  0.131641D+01
      3  -0.394673D+01  0.204219D+01  0.312547D-02  0.759812D+00 -0.134570D+01
               106           107           108           109           110 
      1  -0.385611D+01  0.531283D+00 -0.402232D+01  0.210236D+01  0.901374D-01
      2   0.734137D+01  0.289131D+01  0.962656D+01 -0.316268D+01 -0.251053D+01
      3   0.367832D+01 -0.504829D+01  0.694862D+00  0.356300D+00 -0.229553D+01
               111           112           113           114           115 
      1  -0.294661D+01  0.181920D+01  0.954250D+00 -0.266220D+01 -0.464561D+01
      2   0.772511D+01 -0.168613D+01 -0.438790D+01  0.461516D+01  0.108446D+02
      3   0.468231D+00 -0.628634D+00 -0.277025D+01  0.247406D+01  0.641034D+00
               116           117           118           119           120 
      1   0.947443D+00  0.749455D+01 -0.116215D+01  0.141606D+01 -0.223383D+00
      2   0.663447D+01 -0.177349D+02 -0.447504D+01  0.122513D+01  0.138007D+01
      3   0.690939D+01 -0.181112D+01  0.118561D+01 -0.201458D+01  0.736149D+00
               121           122           123           124           125 
      1   0.278111D+01  0.190101D+00  0.441014D+00  0.235999D+01  0.424026D+01
      2   0.563962D+01 -0.782912D+00 -0.858780D+00 -0.279868D+01 -0.966446D+00
      3   0.137901D+01 -0.242810D+00 -0.570882D+00  0.123560D+01 -0.162139D+01
               126           127           128           129           130 
      1  -0.265273D+01  0.268645D+01 -0.204097D+01  0.412393D+01 -0.161262D+01
      2   0.457439D+01 -0.248794D+01  0.856616D+00 -0.401883D+00  0.121845D+01
      3   0.142328D+01 -0.817048D+01  0.141855D+01 -0.454021D+01  0.366806D+01
               131           132           133           134           135 
      1   0.196267D+01 -0.399823D+01  0.284659D+01 -0.255201D+01  0.881692D+01
      2  -0.120987D+01  0.934113D+00 -0.339320D+01  0.209877D+01 -0.275590D+01
      3  -0.543753D+01  0.291983D+01 -0.766487D+01  0.465528D+01 -0.636621D+01
               136           137           138           139           140 
      1  -0.291629D+00 -0.769805D+00  0.209999D+00  0.374065D+00 -0.367053D+01
      2  -0.251986D+00  0.759612D-02  0.604591D+00 -0.655105D+00  0.327097D+01
      3  -0.129464D+01  0.418984D+00  0.206718D+00  0.431983D+01 -0.108074D+02
               141           142           143           144           145 
      1  -0.672055D+01  0.397742D+00 -0.416454D+01 -0.713237D+01  0.407697D+01
      2   0.238743D+01 -0.222149D+01  0.364840D+01  0.361576D+01 -0.790791D+01
      3  -0.476226D+01  0.240673D+01 -0.641928D+01 -0.596312D+01  0.860199D+01
               146           147           148           149           150 
      1   0.593996D+01 -0.129752D+01  0.513402D+01  0.933951D+01 -0.165382D+01
      2  -0.541230D+01 -0.128257D+01 -0.627389D+01 -0.869448D+01 -0.169964D+01
      3   0.578783D+01  0.134820D+01  0.917080D+01  0.109877D+02  0.295413D+01
               151           152           153           154           155 
      1  -0.100798D+01  0.958914D+00  0.121022D+01 -0.409923D+01  0.576034D+01
      2  -0.143856D+01 -0.778302D+00 -0.959147D+00 -0.886179D+01  0.390784D+01
      3  -0.120078D+01 -0.301263D+00  0.145675D+01 -0.561220D+00  0.465589D+00
               156           157           158           159           160 
      1  -0.220346D+01  0.493950D+01 -0.846812D+01  0.270243D+01 -0.218356D+01
      2  -0.369298D+01  0.623105D+01 -0.617588D+01  0.565746D+01 -0.493216D+01
      3   0.652285D-01  0.281009D+01 -0.110396D+01  0.111142D+01 -0.553677D+00
               161           162           163           164           165 
      1   0.488129D+01 -0.402194D+01 -0.103399D+01 -0.188096D+01  0.229026D+01
      2   0.373625D+01 -0.529368D+01  0.317137D+01  0.365956D+00  0.402320D+01
      3   0.181203D+00 -0.116080D+01 -0.201111D+01 -0.271195D+01  0.319613D+00
               166           167           168           169           170 
      1  -0.296643D+00  0.115670D+01  0.186349D+00  0.106723D+01  0.266624D+01
      2  -0.125797D+01 -0.168557D+01  0.441907D-01 -0.362148D+01 -0.438319D-01
      3   0.429362D+00  0.207599D+01  0.143947D+01  0.190258D+01  0.170727D+01
               171           172           173           174           175 
      1  -0.278819D+01  0.279246D+01  0.120885D+01  0.440049D+01  0.870708D+00
      2  -0.322792D+01  0.307588D+01  0.650564D+00  0.686222D+01  0.113732D+01
      3  -0.761151D+00 -0.257992D+01 -0.793570D+00 -0.340256D+01  0.110123D+00
               176           177           178           179           180 
      1   0.243863D+01  0.203139D+01  0.537713D+01  0.424523D+01  0.122962D+02
      2   0.233928D+01  0.426296D+01  0.547181D+01  0.698175D-01  0.199566D+02
      3  -0.148872D+01 -0.329311D+01 -0.353551D+01 -0.544789D+01 -0.496057D+01
               181           182           183           184           185 
      1  -0.108516D+01 -0.481467D+00 -0.186934D+01 -0.447028D+00 -0.259970D+01
      2   0.121406D+01  0.326078D+01 -0.570681D+00  0.218039D+01  0.438384D+01
      3   0.945154D+01  0.141700D+02 -0.257472D+01  0.925411D+01  0.273772D+02
               186           187           188           189           190 
      1  -0.392625D+01  0.314987D+00 -0.716849D-01  0.132582D+01 -0.593984D+01
      2  -0.247266D+01 -0.426821D+00 -0.316722D+01  0.215425D+01 -0.100642D+02
      3  -0.455056D+01 -0.165953D+01 -0.317092D+01  0.310370D+01 -0.384679D+01
               191           192           193           194           195 
      1   0.242457D+01  0.512025D+01  0.256151D+01 -0.210123D+01 -0.214994D+01
      2   0.484585D+01  0.100158D+02  0.392142D+01 -0.314077D+01 -0.232957D+01
      3  -0.331578D+01  0.785593D+00 -0.351111D+00  0.452007D+01  0.307141D+00
               196           197           198           199           200 
      1   0.517458D+01 -0.100685D+01 -0.371703D+01  0.518173D+00 -0.122352D+01
      2   0.862132D+01 -0.358400D+01 -0.731219D+01 -0.676062D+00  0.135262D+01
      3   0.640702D+00  0.381810D+01 -0.116341D+01  0.142983D+00 -0.692067D-01
               201           202           203           204           205 
      1  -0.569451D+00 -0.244025D+01 -0.551481D+01 -0.169733D+01 -0.606480D+01
      2  -0.348728D+00  0.233767D+01  0.110394D+01  0.591006D+00 -0.272602D+01
      3   0.500178D-01  0.315295D+01 -0.270994D+01  0.187122D+00 -0.142864D+01
               206           207           208           209           210 
      1   0.215681D+01 -0.927583D+00  0.820195D+00  0.133527D-01 -0.178912D+00
      2   0.119022D+00  0.674962D+00  0.239024D+01 -0.357079D+00  0.491603D+00
      3   0.474907D+00 -0.974870D+00  0.382113D+01  0.256585D+00 -0.879349D-01
               211           212           213           214           215 
      1  -0.260754D+00  0.772050D+00 -0.357334D+01 -0.173195D+01  0.268317D+00
      2  -0.454921D+00  0.339017D+01 -0.208635D+01 -0.432494D+01 -0.216375D+01
      3   0.601666D+01  0.145225D+02 -0.267417D+01 -0.228990D+01 -0.328637D+01
               216           217           218           219           220 
      1   0.559965D+00 -0.428122D+00 -0.608828D+00  0.167834D+01 -0.128600D+01
      2   0.600734D+00 -0.123663D+01  0.964717D+00 -0.213451D+01  0.201863D+01
      3   0.181962D+01 -0.607509D+00  0.314763D+01 -0.192190D+01  0.704213D+00
               221           222           223           224           225 
      1   0.132014D+01 -0.292929D+01 -0.252536D+01 -0.388887D+01  0.130423D+02
      2  -0.350809D+01  0.463317D+01  0.114258D+01  0.931943D+01 -0.242758D+02
      3  -0.532525D+01  0.351616D+01  0.192344D-02  0.705693D+01 -0.939172D+01
               226           227           228           229           230 
      1  -0.224987D+01 -0.540507D+00 -0.232428D+01 -0.659970D+00 -0.639317D+00
      2   0.570294D+01  0.161937D+01  0.679944D+01  0.124299D+01  0.140372D+01
      3   0.413637D+01 -0.526531D+01  0.643713D+00  0.928607D+00 -0.107348D+01
               231           232           233           234           235 
      1  -0.147241D+01 -0.117478D+01 -0.116874D+00 -0.347926D+00 -0.366003D+00
      2   0.160596D+01  0.342753D+01  0.220950D+01  0.117775D+01  0.332256D+01
      3  -0.886909D+00  0.343566D+00 -0.205769D+01 -0.134858D+01 -0.564282D+01
               236           237           238           239           240 
      1   0.379841D+01  0.314417D+01  0.169252D+01 -0.514955D+01 -0.454890D+01
      2  -0.331144D+01 -0.333320D+01 -0.122996D+01  0.621811D+01  0.524319D+01
      3   0.122565D+02  0.514240D+01  0.632032D+01 -0.184466D+02 -0.680680D+01
               241           242           243 
      1  -0.200999D-01 -0.466830D+01 -0.423125D+01
      2  -0.137511D+01  0.793466D+01  0.574938D+01
      3   0.348459D+01 -0.112772D+02 -0.952260D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.771840D+01  0.766466D+01  0.938038D+01  0.399883D+01  0.207451D+02
      2   0.537261D+01 -0.206237D+02 -0.127062D+02 -0.159931D+02 -0.116502D+02
      3  -0.130910D+02  0.129590D+02  0.332581D+01  0.119943D+02 -0.909490D+01
      4   0.853561D+01  0.676429D+01 -0.137688D+02  0.923654D+01 -0.266134D+01
      5   0.234683D+02 -0.136796D+02 -0.272010D+02 -0.142566D+02 -0.169636D+01
      6  -0.942457D+01 -0.717528D+01  0.122913D+02 -0.737498D+01 -0.734398D+01
                 6             7             8             9            10 
      1  -0.979786D+01  0.368987D+01 -0.122808D+02 -0.195664D+02 -0.667671D+01
      2  -0.453937D+00 -0.885406D+01  0.155131D+01  0.100900D+02  0.128858D+01
      3   0.102518D+02  0.516419D+01  0.107295D+02  0.947634D+01  0.538814D+01
      4   0.912756D+01 -0.160876D+02  0.752162D+01  0.410880D+01 -0.167043D+02
      5   0.720444D-01 -0.268152D+02  0.608133D+01  0.773082D+01 -0.141433D+02
      6  -0.361754D+01  0.122475D+02 -0.359434D+01  0.644242D+01  0.108406D+02
                11            12            13            14            15 
      1  -0.110645D+02 -0.142267D+01 -0.535399D+00 -0.309772D+02  0.996979D+01
      2   0.153480D+02  0.154820D+01  0.265431D+01  0.153795D+02 -0.194369D+01
      3  -0.428351D+01 -0.125536D+00 -0.211892D+01  0.155977D+02 -0.802611D+01
      4  -0.132201D+02  0.134068D+02 -0.223490D+02 -0.182618D+02 -0.782644D+01
      5   0.128739D+02  0.177486D+02  0.165269D+02 -0.308607D+01  0.685046D+01
      6  -0.949698D+01 -0.287993D+01 -0.303757D+01  0.128937D+02 -0.952825D+00
                16            17            18            19            20 
      1  -0.683330D+00  0.167307D+02  0.177357D+02  0.459001D+02  0.102517D+02
      2  -0.762153D+01 -0.552965D+01 -0.129234D+02 -0.209908D+02 -0.118450D+02
      3   0.830486D+01 -0.112011D+02 -0.481230D+01 -0.249093D+02  0.159330D+01
      4   0.200983D+02 -0.174372D+02  0.166379D+01  0.145488D+02 -0.862832D+01
      5   0.269082D+02  0.166453D+01  0.107075D+02 -0.681764D+01 -0.299908D+01
      6  -0.444792D+01 -0.943392D+00 -0.920090D+01 -0.106125D+02 -0.941974D+00
                21            22            23            24            25 
      1   0.485714D+01  0.866255D+00  0.302871D+01 -0.341654D+01  0.224122D+02
      2   0.162863D+01 -0.271416D+01 -0.599839D+01  0.129984D+01  0.860181D+01
      3  -0.648577D+01  0.184791D+01  0.296968D+01  0.211670D+01 -0.310140D+02
      4  -0.522845D+01 -0.469652D+01 -0.142057D+01  0.442843D+01 -0.138828D+02
      5  -0.811757D+01 -0.717623D+01  0.109119D+01  0.563041D+01 -0.187994D+02
      6   0.107302D+01 -0.112653D+01 -0.445390D+01  0.247169D+01 -0.135210D+01
                26            27            28            29            30 
      1  -0.986656D+01  0.119693D+02 -0.121396D+03  0.891657D+01 -0.125405D+02
      2   0.601114D+01  0.143243D+02  0.512525D+02 -0.581723D+01  0.455109D+01
      3   0.385542D+01 -0.262936D+02  0.701439D+02 -0.309934D+01  0.798943D+01
      4   0.124553D+02  0.218740D+01  0.149208D+02 -0.104708D+02  0.734736D+00
      5   0.526657D+01 -0.162773D+02 -0.109608D+00 -0.125660D+01 -0.108083D+02
      6   0.420149D+01  0.131736D+01  0.957082D+01  0.327008D+01  0.183160D+01
                31            32            33            34            35 
      1   0.482135D+02 -0.633042D+01  0.210783D+01 -0.437557D+02 -0.210862D+01
      2  -0.236189D+02  0.270891D+01  0.920502D+00  0.137551D+02  0.302899D+01
      3  -0.245946D+02  0.362151D+01 -0.302833D+01  0.300007D+02 -0.920368D+00
      4  -0.144876D+02 -0.257140D+01  0.799732D+00  0.607053D+01 -0.472092D+01
      5   0.690487D+01  0.209413D+01  0.260275D+01 -0.760364D+01  0.344322D+00
      6   0.107022D+01  0.876965D+01 -0.953422D+00  0.124284D+01  0.359265D+01
                36            37            38            39            40 
      1  -0.296511D+02  0.161020D+03 -0.255734D+02  0.286788D+02 -0.243624D+02
      2  -0.247233D+00 -0.704990D+02  0.126316D+02 -0.992243D+01  0.838314D+01
      3   0.298984D+02 -0.905215D+02  0.129419D+02 -0.187564D+02  0.159792D+02
      4   0.419253D+01 -0.460908D+02  0.144054D+02 -0.510139D+01  0.169859D+02
      5  -0.137062D+02  0.210502D+02 -0.158731D+01  0.198662D+02  0.260291D+01
      6   0.362079D+01 -0.103822D+02 -0.206746D+01 -0.217571D+01 -0.945761D+00
                41            42            43            44            45 
      1   0.130569D+02 -0.878521D+01  0.407310D+02 -0.973401D+01  0.719129D+01
      2  -0.117488D+02  0.309226D+01 -0.187152D+02  0.801966D+01 -0.681693D+01
      3  -0.130811D+01  0.569295D+01 -0.220158D+02  0.171435D+01 -0.374361D+00
      4   0.139539D+02 -0.539526D+01 -0.659014D+01 -0.660715D+01 -0.605261D+01
      5  -0.706702D+01 -0.304139D+01  0.273692D+02 -0.633416D+01  0.628241D+01
      6   0.426197D+01  0.435667D+01 -0.857360D+01  0.577073D+01  0.884415D+00
                46            47            48            49            50 
      1  -0.142821D+03  0.412285D+02 -0.247308D+02  0.616890D+02 -0.247506D+02
      2   0.648284D+02 -0.197050D+02  0.134705D+02 -0.377230D+02  0.311924D+01
      3   0.779923D+02 -0.215235D+02  0.112603D+02 -0.239660D+02  0.216314D+02
      4   0.705975D+02 -0.349452D+02  0.164196D+02 -0.414345D+02 -0.226000D+02
      5  -0.395457D+02  0.125469D+02 -0.243269D+02  0.251582D+02  0.130427D+01
      6   0.167885D+02 -0.589596D+01  0.115823D+01  0.234147D+00  0.526504D+01
                51            52            53            54            55 
      1   0.155065D+02 -0.519959D+02  0.140961D+02 -0.141358D+02  0.167940D+03
      2  -0.118104D+02  0.251185D+02 -0.317434D+01  0.272445D+01 -0.818676D+02
      3  -0.369620D+01  0.268774D+02 -0.109218D+02  0.114113D+02 -0.860724D+02
      4   0.126878D+01  0.310013D+02 -0.153773D+00  0.766180D+01 -0.698060D+02
      5   0.306751D+01 -0.635495D+01  0.570035D+01 -0.116523D+02  0.356725D+02
      6  -0.732471D+01  0.808945D+00  0.261693D+01  0.434693D+01 -0.907092D+01
                56            57            58            59            60 
      1  -0.411359D+02  0.258388D+02 -0.102004D+03  0.302611D+02 -0.141695D+02
      2   0.148493D+02 -0.155494D+02  0.420509D+02 -0.220743D+01  0.810048D+01
      3   0.262866D+02 -0.102894D+02  0.599528D+02 -0.280537D+02  0.606905D+01
      4   0.405457D+02 -0.119010D+02  0.715421D+02 -0.451382D+02  0.137675D+02
      5  -0.985129D+01  0.294794D+02 -0.243669D+02  0.111440D+02 -0.162430D+02
      6   0.430688D+01 -0.594528D+01  0.976677D+01 -0.651094D+01  0.119335D+02
                61            62            63            64            65 
      1   0.493542D+02 -0.616470D+01  0.259163D+02 -0.275033D+02  0.306728D+02
      2  -0.283974D+02  0.400556D+01 -0.193678D+02  0.848936D+01 -0.277911D+02
      3  -0.209568D+02  0.215913D+01 -0.654849D+01  0.190140D+02 -0.288172D+01
      4  -0.200134D+02  0.926922D+01 -0.214239D+02  0.260855D+02  0.729412D+01
      5   0.489005D+02 -0.200294D+02  0.307697D+02  0.152732D+02 -0.170066D+02
      6  -0.996563D+01  0.110996D+02 -0.843327D+01 -0.114357D+02  0.159030D+02
                66            67            68            69            70 
      1   0.101721D+02  0.210706D+02  0.303356D+02 -0.193260D+02  0.188560D+02
      2   0.612895D+01 -0.172372D+02 -0.271185D+02  0.116725D+02  0.500297D+01
      3  -0.163011D+02 -0.383347D+01 -0.321713D+01  0.765346D+01 -0.238590D+02
      4  -0.216406D+02  0.785336D+01  0.270730D+01  0.105532D+02 -0.283432D+02
      5  -0.183069D+02 -0.186208D+02  0.831212D+01 -0.117694D+02 -0.256637D+02
      6   0.650336D+01  0.127125D+02 -0.220873D+00  0.341111D+01  0.910534D+01
                71            72            73            74            75 
      1  -0.225484D+02 -0.239123D+02 -0.192713D+01 -0.151609D+02 -0.218549D+02
      2   0.118095D+02  0.248431D+02  0.436743D+00  0.109686D+02  0.134577D+02
      3   0.107389D+02 -0.930766D+00  0.149039D+01  0.419236D+01  0.839727D+01
      4   0.161465D+02  0.292634D+01 -0.150756D+02  0.627674D+01 -0.919852D+00
      5  -0.434459D+01 -0.304012D+02 -0.984875D+01  0.362352D+01 -0.229000D+02
      6   0.379604D+01  0.735591D+01 -0.341855D+01  0.800806D+01 -0.704947D+01
                76            77            78            79            80 
      1  -0.173897D+02  0.188031D+02  0.784686D+01 -0.235339D+02  0.254158D+01
      2   0.179174D+02 -0.346523D+01 -0.555212D+01  0.137954D+02 -0.219171D+01
      3  -0.527635D+00 -0.153379D+02 -0.229474D+01  0.973849D+01 -0.349872D+00
      4   0.136677D+02  0.366562D+02  0.439704D+01  0.665947D+01  0.100463D+02
      5   0.115165D+02 -0.188491D+01 -0.120580D+02 -0.395057D+02 -0.169805D+02
      6   0.289393D+01 -0.893058D+00 -0.503265D+01 -0.141906D+02 -0.572514D+01
                81            82            83            84            85 
      1  -0.253359D+02 -0.208171D+02 -0.164643D+01  0.152266D+02  0.295414D+01
      2   0.170472D+02  0.180396D+02  0.756060D+01 -0.151609D+02  0.146092D+01
      3   0.828872D+01  0.277755D+01 -0.591417D+01 -0.657426D-01 -0.441506D+01
      4  -0.220781D+02 -0.253979D+00  0.105404D+02  0.258507D+01  0.110699D+02
      5   0.112572D+02  0.748271D+01 -0.292563D+01  0.102907D+01 -0.660180D+01
      6   0.896873D+01  0.979830D+01 -0.690392D+01  0.294737D+01 -0.429735D+01
                86            87            88            89            90 
      1   0.126800D+02  0.504190D+01  0.186729D+02  0.122839D+02  0.154240D+02
      2  -0.749118D+01 -0.941019D+01 -0.173880D+02 -0.188300D+02 -0.176998D+02
      3  -0.518885D+01  0.436829D+01 -0.128495D+01  0.654612D+01  0.227583D+01
      4  -0.498825D+01 -0.133823D+02  0.197165D+01 -0.190233D+02 -0.315278D+01
      5  -0.690746D+01 -0.288245D+01  0.397331D+01 -0.554580D+01 -0.342273D+00
      6  -0.188697D+02 -0.146231D+02  0.357638D+01 -0.206658D+02 -0.321064D+01
                91            92            93            94            95 
      1  -0.623442D+02 -0.313951D+02 -0.150207D+02 -0.113646D+02  0.203588D+02
      2   0.272092D+02  0.251186D+02  0.116035D+02  0.140458D+02 -0.306318D+01
      3   0.351350D+02  0.627645D+01  0.341717D+01 -0.268126D+01 -0.172957D+02
      4  -0.261462D+02  0.192133D+02 -0.590188D+01  0.238918D+02  0.220954D+02
      5  -0.134082D+02 -0.304414D+01  0.137021D+02 -0.287386D+01 -0.951390D+01
      6  -0.643837D+01  0.204922D+01  0.832115D+01 -0.716491D+00 -0.981829D+01
                96            97            98            99           100 
      1   0.299948D+01 -0.227502D+02  0.515514D-01  0.206632D+02  0.527135D+02
      2  -0.790954D+01  0.119373D+02 -0.108966D+02 -0.866654D+01 -0.273300D+02
      3   0.491006D+01  0.108129D+02  0.108451D+02 -0.119967D+02 -0.253836D+02
      4  -0.773361D+01 -0.745562D+01 -0.667309D+01 -0.138587D+02  0.239658D+02
      5  -0.901541D+01  0.338301D+01 -0.163649D+02  0.261287D+02  0.236776D+02
      6  -0.349235D+01  0.191808D+01 -0.121107D+02  0.138228D+02  0.549902D+01
               101           102           103           104           105 
      1   0.101112D+02  0.197488D+02  0.272726D+01  0.420285D+01 -0.811131D+00
      2  -0.319573D+01 -0.108270D+02  0.422798D+00 -0.107429D+01  0.177530D+01
      3  -0.691545D+01 -0.892183D+01 -0.315006D+01 -0.312856D+01 -0.964171D+00
      4   0.132804D+02  0.788715D+01  0.107831D+02  0.440983D+01  0.525017D+01
      5   0.380993D+01  0.190443D+02  0.141488D+01  0.526275D+01  0.289356D+01
      6   0.178037D+01  0.531597D+01  0.257132D+01  0.254817D+01  0.408512D+01
               106           107           108           109           110 
      1   0.321008D+02  0.338585D+01  0.176215D+02  0.234202D+02  0.886064D+01
      2  -0.183246D+02  0.428247D+00 -0.132303D+02 -0.133876D+02 -0.426515D+01
      3  -0.137761D+02 -0.381409D+01 -0.439122D+01 -0.100326D+02 -0.459550D+01
      4   0.147669D+02  0.109527D+02  0.121966D+02  0.182270D+02  0.108596D+02
      5   0.266812D+02  0.779972D+01  0.210819D+02 -0.173078D+02 -0.750023D+01
      6   0.769409D+01  0.477478D+01  0.633190D+01 -0.769358D+01 -0.441448D+01
               111           112           113           114           115 
      1  -0.823962D+01  0.696972D+01 -0.107341D+01 -0.117030D+01 -0.171942D+02
      2   0.555904D+01 -0.223168D+01  0.423594D+01 -0.929908D+00  0.128348D+02
      3   0.268058D+01 -0.473804D+01 -0.316253D+01  0.210021D+01  0.435933D+01
      4  -0.932553D+01  0.140310D+02  0.105013D+02 -0.111631D+02 -0.213827D+02
      5   0.183014D+02 -0.803102D+01 -0.960737D+01  0.926888D+01  0.334557D+02
      6   0.642747D+01 -0.666413D+01 -0.719638D+01  0.878788D+01  0.142485D+02
               116           117           118           119           120 
      1  -0.285620D+01  0.934584D+01 -0.307921D+01  0.508886D+00 -0.186493D+01
      2   0.169024D+00 -0.142893D+02 -0.515190D+01  0.850731D+00 -0.409780D+01
      3   0.268718D+01  0.494344D+01  0.823111D+01 -0.135962D+01  0.596274D+01
      4  -0.191576D+02  0.200564D+02  0.188250D+00  0.426406D+01  0.423102D+00
      5   0.158282D+02 -0.372330D+02  0.861532D+01 -0.939766D+00  0.127933D+02
      6   0.119274D+02 -0.178078D+02  0.633908D+00  0.138451D+01 -0.103186D-01
               121           122           123           124           125 
      1   0.743041D+01 -0.494767D+01  0.283356D+01 -0.103006D+02  0.302326D+00
      2  -0.205956D+01 -0.300439D+00  0.107681D+01 -0.615069D+01  0.338361D+01
      3  -0.537085D+01  0.524811D+01 -0.391037D+01  0.164513D+02 -0.368594D+01
      4   0.409637D+01  0.801612D+00  0.297636D+01  0.115655D+01  0.379668D+01
      5  -0.152686D+01  0.307351D+01 -0.247280D+01  0.181447D+02 -0.283285D+01
      6   0.144713D+01 -0.164772D+01  0.727721D+01  0.148526D+01  0.455649D+01
               126           127           128           129           130 
      1  -0.249429D+02 -0.267057D+01  0.779014D+01 -0.534563D+01  0.458027D+01
      2  -0.193682D+02  0.271379D+01 -0.997543D+01  0.515845D+01 -0.541302D+01
      3   0.443111D+02 -0.432214D-01  0.218529D+01  0.187177D+00  0.832747D+00
      4  -0.609968D+00 -0.492480D+01  0.575083D+00 -0.229449D+01  0.233537D+01
      5   0.240266D+02 -0.372175D+00  0.576787D+00 -0.751410D+00  0.553590D+00
      6   0.774604D+00 -0.570510D+01  0.389831D+01 -0.574644D+01  0.269662D+01
               131           132           133           134           135 
      1  -0.133120D+02  0.510448D+01 -0.926256D+01  0.979287D+01 -0.138410D+02
      2   0.158457D+02 -0.522737D+01  0.636841D+01 -0.107820D+02  0.959461D+01
      3  -0.253370D+01  0.122896D+00  0.289415D+01  0.989116D+00  0.424637D+01
      4  -0.101143D+00  0.846954D+00 -0.481352D+01 -0.864017D+00 -0.859542D+00
      5  -0.844644D+00  0.154986D+01 -0.428247D+00  0.256280D+01 -0.410174D+01
      6  -0.482979D+01  0.881181D+01 -0.464803D+01  0.115366D+02 -0.130149D+02
               136           137           138           139           140 
      1  -0.935613D+00  0.354715D+01  0.326666D+00  0.183166D+01 -0.321126D+02
      2   0.252038D+01 -0.189164D+01  0.711353D+00  0.706973D+00  0.427870D+02
      3  -0.158477D+01 -0.165551D+01 -0.103802D+01 -0.253864D+01 -0.106744D+02
      4   0.554426D+01  0.844117D+01  0.345078D+01  0.838956D+01  0.210856D+02
      5   0.895610D+00  0.331831D+01  0.392306D+01  0.251977D+01  0.908799D+01
      6   0.341693D+01  0.120402D+01 -0.873522D-01  0.176249D+01  0.275907D+02
               141           142           143           144           145 
      1  -0.153948D+02 -0.388957D+00 -0.226726D+02 -0.187638D+02 -0.768671D+01
      2   0.170630D+02  0.255079D+01  0.237323D+02  0.136268D+02  0.685262D+01
      3  -0.166819D+01 -0.216184D+01 -0.105973D+01  0.513700D+01  0.834092D+00
      4   0.980320D+01  0.496633D+01  0.154211D+02  0.965479D+01  0.248427D+01
      5   0.587199D+01  0.342223D+01  0.100083D+02  0.847143D+01  0.358450D+01
      6   0.195221D+02  0.124608D+01  0.264030D+02  0.222540D+02  0.611720D+01
               146           147           148           149           150 
      1  -0.110928D+02 -0.665361D+01 -0.902615D+01 -0.224412D+02 -0.701381D+01
      2   0.120950D+02  0.190010D+01  0.105904D+02  0.253421D+02  0.219334D+01
      3  -0.100216D+01  0.475350D+01 -0.156425D+01 -0.290086D+01  0.482047D+01
      4   0.623717D-01  0.118008D+01  0.212007D+01 -0.629230D+01 -0.256405D+01
      5   0.457426D+01  0.273103D+01  0.631552D+01  0.256004D+01 -0.217126D+01
      6   0.999299D+01  0.368150D+01  0.711595D+01  0.182143D+02  0.932327D+01
               151           152           153           154           155 
      1  -0.172979D+01 -0.710408D+00 -0.241647D+01 -0.616071D+01  0.263682D+01
      2  -0.265984D+00 -0.193917D+01  0.765474D+00 -0.188312D+01  0.334379D+01
      3   0.199577D+01  0.264958D+01  0.165099D+01  0.804383D+01 -0.598061D+01
      4   0.132767D+01  0.556006D+00 -0.421265D+00  0.274501D+01 -0.305319D+01
      5   0.303391D+01 -0.213767D+00 -0.309517D-01  0.169747D+01 -0.618225D+00
      6   0.172682D+01  0.535047D+01  0.208367D+01 -0.231397D+01  0.557141D+01
               156           157           158           159           160 
      1  -0.921054D+01  0.466023D+01 -0.951064D+01  0.105167D+02 -0.524075D+01
      2  -0.209894D+01  0.130978D+01  0.155187D+01  0.441796D+01 -0.147755D+01
      3   0.113095D+02 -0.597001D+01  0.795877D+01 -0.149347D+02  0.671830D+01
      4   0.339519D+01 -0.357045D+01  0.732665D+01 -0.477241D+01  0.335550D+01
      5   0.343003D+01 -0.154808D+01  0.131560D+00  0.408335D+01  0.537296D+01
      6  -0.284259D+01  0.413912D+01 -0.866930D+01  0.596185D+01 -0.342852D+01
               161           162           163           164           165 
      1   0.623104D+01 -0.102579D+02  0.161789D+02 -0.192887D+01 -0.391404D+01
      2   0.274396D+01 -0.687445D+01 -0.180700D+02  0.347860D+01  0.159328D+02
      3  -0.897500D+01  0.171323D+02  0.189105D+01 -0.154973D+01 -0.120187D+02
      4  -0.321438D+01  0.352634D+01 -0.139407D+02  0.102651D+02  0.106976D+02
      5  -0.495248D+00 -0.197312D+01 -0.346090D+02  0.111904D+02  0.325077D+02
      6   0.655395D+01 -0.464854D+01  0.921939D+01 -0.766992D+01 -0.102991D+02
               166           167           168           169           170 
      1  -0.109884D+01 -0.193340D+01 -0.142933D+01 -0.386841D+01 -0.115872D+01
      2   0.187085D+01  0.356328D+00 -0.506148D+00  0.130095D+02 -0.205788D+01
      3  -0.772018D+00  0.157707D+01  0.193548D+01 -0.914111D+01  0.321661D+01
      4   0.771591D+01 -0.621585D+01 -0.754971D+01  0.856893D+01 -0.622311D+01
      5   0.654947D+01 -0.766470D+01 -0.628170D+01  0.253442D+02 -0.886560D+01
      6  -0.519960D+01  0.646734D+01  0.839978D+01 -0.792933D+01  0.768147D+01
               171           172           173           174           175 
      1  -0.299400D+01  0.162741D+02 -0.268466D+01  0.980917D+01  0.490494D+01
      2  -0.170055D+02 -0.118559D+02  0.126493D+01 -0.108235D+02 -0.365575D+01
      3   0.199995D+02 -0.441827D+01  0.141973D+01  0.101428D+01 -0.124919D+01
      4  -0.893398D+01 -0.649140D+01  0.354947D+01 -0.135222D+01  0.124036D+01
      5  -0.297500D+02  0.146576D+02  0.110778D+01  0.196972D+02  0.666508D+01
      6   0.110860D+02 -0.307530D+01 -0.174509D-01 -0.589108D+01 -0.348063D+00
               176           177           178           179           180 
      1  -0.189495D+01  0.502393D+01  0.132712D+02  0.285009D+01  0.893649D+01
      2   0.203918D+00 -0.735031D+01 -0.145564D+02 -0.508057D+01 -0.246803D+02
      3   0.169103D+01  0.232638D+01  0.128526D+01  0.223048D+01  0.157438D+02
      4   0.332687D+01  0.424197D+01 -0.504224D+01  0.835603D+01 -0.529885D+01
      5   0.459966D+01  0.932409D+01  0.273028D+02 -0.112473D+01  0.472433D+02
      6   0.153558D+00  0.187181D+01 -0.847030D+01  0.528324D+01 -0.169562D+02
               181           182           183           184           185 
      1  -0.804133D+01 -0.213726D+02  0.266025D+01 -0.148227D+02 -0.350460D+02
      2   0.866877D+01  0.236153D+02 -0.288315D+01  0.110954D+02  0.476989D+02
      3  -0.627438D+00 -0.224266D+01  0.222897D+00  0.372730D+01 -0.126529D+02
      4   0.194534D+00 -0.762512D+01  0.352193D+01  0.535028D+01 -0.281446D+02
      5  -0.287191D+01  0.189842D+01 -0.911221D+00 -0.107762D+01  0.263372D+01
      6  -0.106227D+01 -0.674595D+01  0.456161D+01 -0.262475D+01 -0.125192D+02
               186           187           188           189           190 
      1   0.677487D+01 -0.146001D+00  0.649060D+01 -0.349706D+01  0.633958D+02
      2  -0.615938D+01 -0.149505D+01 -0.439167D+01  0.265358D+01 -0.248600D+02
      3  -0.615493D+00  0.164106D+01 -0.209893D+01  0.843475D+00 -0.385358D+02
      4   0.372882D+01  0.229567D+01  0.104665D+01 -0.349242D+01 -0.429836D+02
      5  -0.408959D+01  0.332398D+01 -0.357153D+01  0.439368D+01 -0.145541D+02
      6   0.854354D+01  0.771669D+00  0.839840D+01 -0.435496D+01  0.730804D+01
               191           192           193           194           195 
      1  -0.206532D+02 -0.148470D+02 -0.120679D+02  0.506114D+01  0.414101D+01
      2   0.421377D+01  0.461002D+01  0.101224D+00  0.544069D+01 -0.336086D-01
      3   0.164394D+02  0.102369D+02  0.119667D+02 -0.105018D+02 -0.410740D+01
      4   0.246039D+02  0.105884D+02  0.206411D+02 -0.173558D+02 -0.679919D+01
      5   0.585487D+01  0.151843D+02  0.461418D+01 -0.480601D+01 -0.241444D+01
      6  -0.393868D+01 -0.732422D+01 -0.373589D+01  0.197507D+01  0.352017D+01
               196           197           198           199           200 
      1  -0.286928D+02  0.970138D+01  0.128327D+02  0.854914D+00  0.160873D+01
      2   0.970892D+01 -0.352895D+00 -0.770833D+01 -0.111705D+01 -0.698168D-01
      3   0.189838D+02 -0.934849D+01 -0.512434D+01  0.262141D+00 -0.153892D+01
      4   0.237835D+02 -0.177896D+02 -0.103986D+02  0.387821D+01  0.560227D+01
      5   0.188118D+02 -0.719054D+01 -0.121377D+02 -0.141310D+01 -0.199397D+01
      6  -0.899548D+01  0.489441D+01  0.668831D+01 -0.246269D+01 -0.632350D+00
               201           202           203           204           205 
      1  -0.150479D+01  0.200210D+01 -0.128342D+02  0.587165D+01 -0.143179D+01
      2   0.609258D+00 -0.436213D+00  0.126030D+02 -0.256408D+01  0.297530D+01
      3   0.895533D+00 -0.156589D+01  0.231209D+00 -0.330758D+01 -0.154352D+01
      4  -0.114342D+01  0.501762D+01  0.886922D+01 -0.294740D+01 -0.138996D+01
      5   0.147443D+01 -0.235547D+01 -0.382658D+01  0.248537D+01  0.218879D+01
      6   0.483675D+00 -0.729663D+00 -0.109840D+02  0.634107D+01  0.222687D+01
               206           207           208           209           210 
      1   0.491802D+01 -0.109510D+01 -0.860507D+00 -0.106537D+01  0.148645D+00
      2  -0.240579D+01  0.684919D+00  0.265205D+01  0.578122D+00  0.167359D-02
      3  -0.251224D+01  0.410186D+00 -0.179155D+01  0.487251D+00 -0.150318D+00
      4  -0.104734D+01  0.577497D+00 -0.108465D+01  0.581492D+01 -0.110440D+01
      5   0.173620D+01 -0.126736D+00  0.873498D+00 -0.584794D+00  0.797982D+00
      6   0.462263D+01 -0.359783D+01 -0.507687D+00  0.126989D+01 -0.162904D+00
               211           212           213           214           215 
      1  -0.541825D+01 -0.214433D+02  0.334370D+01  0.254167D+01  0.532015D+01
      2   0.263794D+01  0.272900D+02 -0.324423D+01 -0.397093D+00 -0.552877D+01
      3   0.278031D+01 -0.584670D+01 -0.994697D-01 -0.214458D+01  0.208619D+00
      4   0.305851D+01 -0.207629D+02  0.317806D+01 -0.130149D+01  0.539763D+01
      5  -0.486637D+00  0.240905D+01 -0.229226D+01 -0.889344D+00 -0.244095D+01
      6   0.432362D+00 -0.185175D+01  0.470420D+01  0.151264D+01  0.386575D+01
               216           217           218           219           220 
      1  -0.410635D+01  0.549187D+01  0.655545D+01 -0.620882D+01  0.514837D+01
      2   0.316875D+01 -0.394010D+01 -0.485931D+01  0.207371D+01 -0.237841D+01
      3   0.937596D+00 -0.155177D+01 -0.169614D+01  0.413510D+01 -0.276997D+01
      4  -0.294662D+01  0.228166D+01 -0.331767D+01 -0.967443D+00  0.339529D+01
      5   0.175254D+01 -0.305873D+01  0.426177D+00 -0.748180D+00 -0.976395D-01
      6  -0.230535D+01 -0.222345D+01  0.131942D+01 -0.292444D+01 -0.975371D+00
               221           222           223           224           225 
      1  -0.790660D+01  0.488467D+01 -0.916520D+01  0.513794D+01 -0.171093D+02
      2   0.662536D+01 -0.385315D+01  0.509947D+01 -0.267418D+01 -0.394645D+01
      3   0.128125D+01 -0.103151D+01  0.406573D+01 -0.246376D+01  0.210557D+02
      4   0.845065D+01 -0.606027D+01 -0.108813D+02 -0.167977D+02  0.148516D+02
      5  -0.656316D+01  0.877095D+01  0.101642D+02  0.170561D+02 -0.452276D+02
      6  -0.563143D+01  0.988446D+01  0.394400D+01  0.142339D+02 -0.245471D+02
               226           227           228           229           230 
      1   0.895327D+02  0.212630D+02  0.641199D+01  0.712685D+01  0.732392D+01
      2  -0.408124D+02 -0.608600D+01 -0.282803D+01  0.782268D+00  0.283226D-01
      3  -0.487203D+02 -0.151770D+02 -0.358395D+01 -0.790912D+01 -0.735224D+01
      4   0.443084D+02  0.227848D+02  0.358853D+01  0.149307D+02  0.954399D+01
      5   0.359101D+01  0.130589D+01  0.123482D+02  0.990711D+00  0.193931D+01
      6   0.310813D+01  0.633449D+00  0.428961D+01  0.323030D-01  0.111134D+01
               231           232           233           234           235 
      1   0.493015D+00  0.132103D+02  0.311197D+01  0.784297D+01 -0.539782D+01
      2   0.911085D+00 -0.646278D+01  0.559580D-01 -0.469852D+01  0.537929D+01
      3  -0.140410D+01 -0.674755D+01 -0.316793D+01 -0.314445D+01  0.185295D-01
      4   0.235785D+01  0.757762D+01  0.526653D+01  0.690503D+01 -0.617822D+00
      5   0.229680D+01  0.128768D+02  0.551929D+01  0.254440D+01  0.449705D+01
      6   0.233429D+01  0.422062D+01  0.346236D+01  0.684265D+00  0.352601D+01
               236           237           238           239           240 
      1   0.156719D+02  0.940104D+01  0.156583D+02 -0.216779D+02 -0.896903D+01
      2  -0.160489D+02 -0.669867D+01 -0.100548D+02  0.275704D+02  0.100719D+02
      3   0.376994D+00 -0.270238D+01 -0.560356D+01 -0.589259D+01 -0.110286D+01
      4  -0.103804D+02 -0.494214D+00  0.327773D+01  0.211715D+02  0.644455D+01
      5  -0.238471D+01 -0.576646D+01 -0.331291D+01  0.782491D+01  0.996368D+01
      6  -0.469120D+01 -0.554706D+01 -0.212228D+01  0.892461D+01  0.867533D+01
               241           242           243 
      1   0.106489D+02 -0.106686D+02 -0.133340D+02
      2  -0.530284D+01  0.130725D+02  0.851952D+01
      3  -0.534602D+01 -0.240394D+01  0.481447D+01
      4   0.358394D+01  0.134769D+02  0.901849D+01
      5  -0.505327D+00  0.111527D+02  0.754648D+01
      6  -0.158835D+01  0.119193D+02  0.815059D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:32:52 2021, MaxMem=  5368709120 cpu:           16726.3 elap:            2095.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13223 -10.27192 -10.21106 -10.20505 -10.19961
 Alpha  occ. eigenvalues --  -10.19227 -10.18762 -10.18727 -10.18495 -10.18173
 Alpha  occ. eigenvalues --  -10.18032  -1.04293  -0.87816  -0.80848  -0.75756
 Alpha  occ. eigenvalues --   -0.74019  -0.70024  -0.68810  -0.62636  -0.60252
 Alpha  occ. eigenvalues --   -0.54188  -0.52640  -0.49152  -0.48234  -0.47721
 Alpha  occ. eigenvalues --   -0.45246  -0.44457  -0.43525  -0.42642  -0.41536
 Alpha  occ. eigenvalues --   -0.40009  -0.39914  -0.38569  -0.37850  -0.36709
 Alpha  occ. eigenvalues --   -0.36440  -0.34217  -0.33038  -0.32214  -0.30640
 Alpha  occ. eigenvalues --   -0.27125  -0.25166
 Alpha virt. eigenvalues --   -0.06034  -0.01811  -0.00378   0.00012   0.00072
 Alpha virt. eigenvalues --    0.01740   0.02032   0.02210   0.02331   0.02704
 Alpha virt. eigenvalues --    0.03980   0.04333   0.04565   0.04869   0.05328
 Alpha virt. eigenvalues --    0.05867   0.06035   0.06356   0.06994   0.07442
 Alpha virt. eigenvalues --    0.07902   0.08393   0.08761   0.09258   0.09439
 Alpha virt. eigenvalues --    0.09918   0.10109   0.10324   0.10526   0.10784
 Alpha virt. eigenvalues --    0.10965   0.11356   0.11586   0.11636   0.12616
 Alpha virt. eigenvalues --    0.12770   0.13192   0.13566   0.13689   0.13907
 Alpha virt. eigenvalues --    0.14085   0.14536   0.14702   0.15323   0.15654
 Alpha virt. eigenvalues --    0.15824   0.16390   0.16445   0.16650   0.17185
 Alpha virt. eigenvalues --    0.17645   0.18134   0.19304   0.19540   0.19931
 Alpha virt. eigenvalues --    0.20106   0.20916   0.21007   0.22063   0.22559
 Alpha virt. eigenvalues --    0.22812   0.23496   0.23627   0.24230   0.24863
 Alpha virt. eigenvalues --    0.24958   0.26017   0.26342   0.26735   0.27434
 Alpha virt. eigenvalues --    0.27714   0.28172   0.29025   0.29651   0.29816
 Alpha virt. eigenvalues --    0.30237   0.30682   0.30852   0.31265   0.31968
 Alpha virt. eigenvalues --    0.32398   0.33156   0.33516   0.33876   0.34233
 Alpha virt. eigenvalues --    0.34485   0.35514   0.35938   0.36287   0.36758
 Alpha virt. eigenvalues --    0.37075   0.37260   0.37999   0.38136   0.38402
 Alpha virt. eigenvalues --    0.39360   0.39527   0.40132   0.40333   0.40697
 Alpha virt. eigenvalues --    0.41162   0.41692   0.42259   0.42825   0.43348
 Alpha virt. eigenvalues --    0.43773   0.44277   0.45124   0.46251   0.46751
 Alpha virt. eigenvalues --    0.47079   0.47346   0.48168   0.48592   0.49269
 Alpha virt. eigenvalues --    0.50176   0.50671   0.51291   0.51488   0.51942
 Alpha virt. eigenvalues --    0.52441   0.52630   0.53527   0.53828   0.54215
 Alpha virt. eigenvalues --    0.55102   0.55419   0.55847   0.56323   0.56847
 Alpha virt. eigenvalues --    0.57102   0.57569   0.58398   0.58713   0.58947
 Alpha virt. eigenvalues --    0.59664   0.60224   0.61305   0.61652   0.62355
 Alpha virt. eigenvalues --    0.62949   0.63562   0.63895   0.64387   0.65054
 Alpha virt. eigenvalues --    0.65355   0.65730   0.66279   0.67225   0.67829
 Alpha virt. eigenvalues --    0.68543   0.69268   0.69599   0.69760   0.70226
 Alpha virt. eigenvalues --    0.70947   0.71650   0.71958   0.72696   0.73377
 Alpha virt. eigenvalues --    0.73457   0.74208   0.74756   0.75071   0.75484
 Alpha virt. eigenvalues --    0.76787   0.77510   0.77982   0.78892   0.79320
 Alpha virt. eigenvalues --    0.79525   0.80747   0.81159   0.82247   0.83362
 Alpha virt. eigenvalues --    0.84423   0.84787   0.86346   0.86858   0.87406
 Alpha virt. eigenvalues --    0.87804   0.88781   0.89621   0.90655   0.91469
 Alpha virt. eigenvalues --    0.93126   0.93902   0.94667   0.95765   0.97263
 Alpha virt. eigenvalues --    0.98455   0.99209   0.99594   1.01289   1.02152
 Alpha virt. eigenvalues --    1.03506   1.04357   1.05497   1.06210   1.07027
 Alpha virt. eigenvalues --    1.08345   1.09938   1.11156   1.12018   1.12799
 Alpha virt. eigenvalues --    1.14138   1.15864   1.17099   1.19277   1.19673
 Alpha virt. eigenvalues --    1.20403   1.22534   1.23078   1.23989   1.25765
 Alpha virt. eigenvalues --    1.27654   1.28296   1.28882   1.31301   1.34655
 Alpha virt. eigenvalues --    1.36419   1.37619   1.38797   1.41126   1.41866
 Alpha virt. eigenvalues --    1.43154   1.45444   1.45836   1.46486   1.47543
 Alpha virt. eigenvalues --    1.48582   1.49944   1.50790   1.51213   1.52097
 Alpha virt. eigenvalues --    1.53748   1.55054   1.55576   1.57108   1.58516
 Alpha virt. eigenvalues --    1.59478   1.60822   1.61147   1.62516   1.63201
 Alpha virt. eigenvalues --    1.63830   1.66098   1.66623   1.67394   1.68333
 Alpha virt. eigenvalues --    1.68411   1.69523   1.70944   1.72809   1.73567
 Alpha virt. eigenvalues --    1.75268   1.75659   1.76481   1.77011   1.77897
 Alpha virt. eigenvalues --    1.78500   1.79883   1.80289   1.81986   1.83487
 Alpha virt. eigenvalues --    1.83829   1.87119   1.87257   1.88247   1.90198
 Alpha virt. eigenvalues --    1.91153   1.94123   1.94422   1.95164   1.96006
 Alpha virt. eigenvalues --    1.97685   1.98823   1.99099   2.00551   2.01424
 Alpha virt. eigenvalues --    2.02626   2.02963   2.05076   2.05235   2.06524
 Alpha virt. eigenvalues --    2.07624   2.08130   2.10124   2.10731   2.12184
 Alpha virt. eigenvalues --    2.12425   2.13989   2.16574   2.17086   2.18023
 Alpha virt. eigenvalues --    2.18549   2.20050   2.20849   2.22006   2.22974
 Alpha virt. eigenvalues --    2.23529   2.27045   2.27979   2.29664   2.30069
 Alpha virt. eigenvalues --    2.31751   2.33892   2.34450   2.37802   2.37943
 Alpha virt. eigenvalues --    2.40069   2.41392   2.41777   2.43675   2.44596
 Alpha virt. eigenvalues --    2.46500   2.48441   2.49155   2.51112   2.51486
 Alpha virt. eigenvalues --    2.53909   2.56874   2.57366   2.59242   2.59769
 Alpha virt. eigenvalues --    2.60312   2.62815   2.64338   2.65579   2.66584
 Alpha virt. eigenvalues --    2.68051   2.72275   2.73622   2.75715   2.77426
 Alpha virt. eigenvalues --    2.80304   2.84755   2.86173   2.87720   2.93225
 Alpha virt. eigenvalues --    2.97437   3.01244   3.04789   3.16332   3.20224
 Alpha virt. eigenvalues --    3.29747   3.37218   3.42473   3.43920   3.46931
 Alpha virt. eigenvalues --    3.63970   3.68930   3.83011   3.92869   5.04480
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.041086  -0.644850  -0.215872  -0.665573   0.195151  -0.003054
     2  C   -0.644850  10.436413  -4.318776   2.227275  -0.610954   0.058392
     3  C   -0.215872  -4.318776  23.706852  -8.859006  -0.654185  -0.790723
     4  C   -0.665573   2.227275  -8.859006  19.479961  -4.551330  -1.439796
     5  C    0.195151  -0.610954  -0.654185  -4.551330  16.675368  -2.585698
     6  C   -0.003054   0.058392  -0.790723  -1.439796  -2.585698   9.834946
     7  O   -0.001419  -0.001484   0.015668  -0.054591  -0.063320   0.228513
     8  C   -0.316876  -0.690548   0.292618  -0.371181   0.006815   0.019574
     9  C   -0.539481  -1.496347   2.028800  -0.465860  -0.071967  -0.079272
    10  C    0.207384   1.465116  -3.056787   0.324660  -0.987571  -0.094973
    11  C   -0.001929   0.014630  -0.230751  -0.074861  -0.124353   0.353004
    12  H    0.124976   0.326004  -0.080278   0.030958   0.068819   0.003171
    13  H    0.043196  -0.193949   0.240380  -0.077695  -0.021987  -0.003437
    14  H    0.190033   0.719473  -3.141986   0.874654   0.270802   0.009380
    15  H    0.131759   0.271850  -0.186038  -0.453213   0.161350   0.022006
    16  H   -0.103066  -0.299083   0.525304   0.498023   0.041385   0.018690
    17  H    0.182977   0.060096  -0.557294   0.080639   0.073996   0.009930
    18  H   -0.180467   0.662076   0.038946  -0.158857   0.041800  -0.008857
    19  H    0.138504  -0.259383   0.250796   0.028059   0.019485   0.009822
    20  H   -0.074979   0.526499  -0.428458   0.223199  -0.005615   0.004672
    21  H   -0.030098   0.101554   0.057290  -0.030585  -0.004756  -0.013135
    22  H    0.116817  -0.293312   0.266292  -0.119996   0.011011   0.001799
    23  H    0.015790  -0.267553   0.798276  -2.148611  -1.014576   0.238859
    24  H    0.045883   0.065530  -0.871026   0.788913  -2.406696   0.149050
    25  H   -0.005617   0.013922  -0.043637   0.161732  -0.321888   0.082797
    26  H   -0.001263  -0.002691   0.020495  -0.086491   0.441458  -0.006375
    27  H   -0.001989   0.005063  -0.015102   0.039599  -0.215368   0.048345
               7          8          9         10         11         12
     1  C   -0.001419  -0.316876  -0.539481   0.207384  -0.001929   0.124976
     2  C   -0.001484  -0.690548  -1.496347   1.465116   0.014630   0.326004
     3  C    0.015668   0.292618   2.028800  -3.056787  -0.230751  -0.080278
     4  C   -0.054591  -0.371181  -0.465860   0.324660  -0.074861   0.030958
     5  C   -0.063320   0.006815  -0.071967  -0.987571  -0.124353   0.068819
     6  C    0.228513   0.019574  -0.079272  -0.094973   0.353004   0.003171
     7  O    8.523937  -0.000680   0.000794   0.002412   0.009351   0.000141
     8  C   -0.000680   5.956661  -0.210297  -0.138653   0.005241  -0.228012
     9  C    0.000794  -0.210297   8.544497  -1.389067  -0.010758  -0.892478
    10  C    0.002412  -0.138653  -1.389067   9.333338  -0.035807   0.021148
    11  C    0.009351   0.005241  -0.010758  -0.035807   4.754158   0.000400
    12  H    0.000141  -0.228012  -0.892478   0.021148   0.000400   3.029774
    13  H   -0.000102   0.101524  -0.718099   0.215427  -0.001999  -0.755966
    14  H    0.002654  -0.076495  -0.531723   0.267815   0.010420   0.041295
    15  H    0.000226   0.040815  -0.199255  -0.674244   0.008536   0.245430
    16  H   -0.001232   0.015803   0.244250  -1.058335   0.001744  -0.257568
    17  H   -0.000979  -0.060396  -0.062823   0.220536  -0.000988  -0.015130
    18  H    0.002653  -0.031227  -0.139362  -0.125173  -0.005793   0.019945
    19  H   -0.000279   0.100755   0.019698  -0.131266   0.004369   0.043958
    20  H   -0.000156  -0.164440  -0.134547   0.215409   0.001932  -0.042035
    21  H    0.000247   0.369007  -0.105629  -0.034616   0.001360   0.001693
    22  H   -0.000023   0.011994   0.195872  -0.084742  -0.001010  -0.033559
    23  H   -0.016263   0.015946   0.149904  -0.056479  -0.097175   0.007797
    24  H   -0.090301  -0.002484  -0.044184   0.388913  -0.067416   0.002334
    25  H    0.028821  -0.000292  -0.005696  -0.003140   0.399208   0.000012
    26  H   -0.041966   0.001376   0.000132   0.003406  -0.225590   0.000026
    27  H    0.031620   0.001361  -0.000443  -0.022830   0.430831   0.000055
              13         14         15         16         17         18
     1  C    0.043196   0.190033   0.131759  -0.103066   0.182977  -0.180467
     2  C   -0.193949   0.719473   0.271850  -0.299083   0.060096   0.662076
     3  C    0.240380  -3.141986  -0.186038   0.525304  -0.557294   0.038946
     4  C   -0.077695   0.874654  -0.453213   0.498023   0.080639  -0.158857
     5  C   -0.021987   0.270802   0.161350   0.041385   0.073996   0.041800
     6  C   -0.003437   0.009380   0.022006   0.018690   0.009930  -0.008857
     7  O   -0.000102   0.002654   0.000226  -0.001232  -0.000979   0.002653
     8  C    0.101524  -0.076495   0.040815   0.015803  -0.060396  -0.031227
     9  C   -0.718099  -0.531723  -0.199255   0.244250  -0.062823  -0.139362
    10  C    0.215427   0.267815  -0.674244  -1.058335   0.220536  -0.125173
    11  C   -0.001999   0.010420   0.008536   0.001744  -0.000988  -0.005793
    12  H   -0.755966   0.041295   0.245430  -0.257568  -0.015130   0.019945
    13  H    2.997116  -0.004152  -0.336827   0.176275   0.038754  -0.026730
    14  H   -0.004152   3.365555   0.199775  -0.239272   0.021222   0.012291
    15  H   -0.336827   0.199775   3.312116  -0.739050   0.004614  -0.009442
    16  H    0.176275  -0.239272  -0.739050   2.775086   0.005743  -0.007180
    17  H    0.038754   0.021222   0.004614   0.005743   2.407355  -0.546476
    18  H   -0.026730   0.012291  -0.009442  -0.007180  -0.546476   2.313936
    19  H   -0.079961   0.007642   0.018986  -0.009807  -0.615760  -0.557588
    20  H    0.017949  -0.080748   0.007593   0.017379   0.022702  -0.040552
    21  H   -0.005515  -0.001640   0.003091  -0.005954  -0.084925   0.029167
    22  H    0.031163   0.036398  -0.013965   0.003701   0.029965   0.014815
    23  H   -0.003897  -0.249669  -0.026711   0.018501   0.040811  -0.021581
    24  H   -0.002284  -0.042942  -0.079217   0.010378   0.020785  -0.041348
    25  H   -0.000158   0.002245   0.002778   0.000146   0.003173   0.000167
    26  H    0.000044   0.002588  -0.000495   0.000310   0.002313  -0.000435
    27  H   -0.000317   0.001332  -0.001324  -0.000116  -0.019261   0.006215
              19         20         21         22         23         24
     1  C    0.138504  -0.074979  -0.030098   0.116817   0.015790   0.045883
     2  C   -0.259383   0.526499   0.101554  -0.293312  -0.267553   0.065530
     3  C    0.250796  -0.428458   0.057290   0.266292   0.798276  -0.871026
     4  C    0.028059   0.223199  -0.030585  -0.119996  -2.148611   0.788913
     5  C    0.019485  -0.005615  -0.004756   0.011011  -1.014576  -2.406696
     6  C    0.009822   0.004672  -0.013135   0.001799   0.238859   0.149050
     7  O   -0.000279  -0.000156   0.000247  -0.000023  -0.016263  -0.090301
     8  C    0.100755  -0.164440   0.369007   0.011994   0.015946  -0.002484
     9  C    0.019698  -0.134547  -0.105629   0.195872   0.149904  -0.044184
    10  C   -0.131266   0.215409  -0.034616  -0.084742  -0.056479   0.388913
    11  C    0.004369   0.001932   0.001360  -0.001010  -0.097175  -0.067416
    12  H    0.043958  -0.042035   0.001693  -0.033559   0.007797   0.002334
    13  H   -0.079961   0.017949  -0.005515   0.031163  -0.003897  -0.002284
    14  H    0.007642  -0.080748  -0.001640   0.036398  -0.249669  -0.042942
    15  H    0.018986   0.007593   0.003091  -0.013965  -0.026711  -0.079217
    16  H   -0.009807   0.017379  -0.005954   0.003701   0.018501   0.010378
    17  H   -0.615760   0.022702  -0.084925   0.029965   0.040811   0.020785
    18  H   -0.557588  -0.040552   0.029167   0.014815  -0.021581  -0.041348
    19  H    2.328134   0.021260   0.009840  -0.035139   0.001284   0.007121
    20  H    0.021260   2.207714  -0.490523  -0.483819   0.046403   0.004588
    21  H    0.009840  -0.490523   1.872239  -0.376510  -0.078658  -0.010910
    22  H   -0.035139  -0.483819  -0.376510   1.938779  -0.010050   0.002384
    23  H    0.001284   0.046403  -0.078658  -0.010050   4.732365   0.325106
    24  H    0.007121   0.004588  -0.010910   0.002384   0.325106   3.942088
    25  H   -0.000543   0.000141   0.000143  -0.000093  -0.077839  -0.029554
    26  H   -0.000042   0.000126   0.000228   0.000048  -0.004377   0.009665
    27  H    0.000400  -0.000322   0.001094   0.000016  -0.049794  -0.020720
              25         26         27
     1  C   -0.005617  -0.001263  -0.001989
     2  C    0.013922  -0.002691   0.005063
     3  C   -0.043637   0.020495  -0.015102
     4  C    0.161732  -0.086491   0.039599
     5  C   -0.321888   0.441458  -0.215368
     6  C    0.082797  -0.006375   0.048345
     7  O    0.028821  -0.041966   0.031620
     8  C   -0.000292   0.001376   0.001361
     9  C   -0.005696   0.000132  -0.000443
    10  C   -0.003140   0.003406  -0.022830
    11  C    0.399208  -0.225590   0.430831
    12  H    0.000012   0.000026   0.000055
    13  H   -0.000158   0.000044  -0.000317
    14  H    0.002245   0.002588   0.001332
    15  H    0.002778  -0.000495  -0.001324
    16  H    0.000146   0.000310  -0.000116
    17  H    0.003173   0.002313  -0.019261
    18  H    0.000167  -0.000435   0.006215
    19  H   -0.000543  -0.000042   0.000400
    20  H    0.000141   0.000126  -0.000322
    21  H    0.000143   0.000228   0.001094
    22  H   -0.000093   0.000048   0.000016
    23  H   -0.077839  -0.004377  -0.049794
    24  H   -0.029554   0.009665  -0.020720
    25  H    1.377104  -0.347671  -0.151858
    26  H   -0.347671   2.092781  -0.379993
    27  H   -0.151858  -0.379993   1.405580
 Mulliken charges:
               1
     1  C    1.352977
     2  C   -1.874962
     3  C    1.208201
     4  C    0.799973
     5  C    1.632824
     6  C   -0.067633
     7  O   -0.574240
     8  C    1.352093
     9  C    1.913339
    10  C    1.228120
    11  C    0.883244
    12  H   -0.662910
    13  H   -0.628754
    14  H   -0.666948
    15  H   -0.711145
    16  H   -0.632057
    17  H   -0.261577
    18  H   -0.240942
    19  H   -0.320346
    20  H   -0.371370
    21  H   -0.173500
    22  H   -0.208835
    23  H   -1.267810
    24  H   -1.053655
    25  H   -0.084403
    26  H   -0.477610
    27  H   -0.092074
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.530112
     2  C   -1.874962
     3  C    0.541253
     4  C   -0.467837
     5  C    0.579169
     6  C   -0.067633
     7  O   -0.574240
     8  C    0.598388
     9  C    0.621675
    10  C   -0.115083
    11  C    0.229158
 Electronic spatial extent (au):  <R**2>=           2426.8259
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5547    Y=              2.0302    Z=             -1.1416  Tot=              4.2498
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.1806   YY=            -69.6455   ZZ=            -69.3582
   XY=              8.2264   XZ=             -3.4646   YZ=              0.4438
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.1192   YY=              4.4160   ZZ=              4.7032
   XY=              8.2264   XZ=             -3.4646   YZ=              0.4438
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -54.5435  YYY=             -0.9496  ZZZ=             -0.5362  XYY=              1.7144
  XXY=             30.4744  XXZ=            -14.3356  XZZ=              0.2378  YZZ=             -0.8722
  YYZ=             -0.2453  XYZ=              1.8123
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2713.0580 YYYY=           -581.5893 ZZZZ=           -306.3856 XXXY=            113.3890
 XXXZ=            -57.2375 YYYX=              1.0023 YYYZ=              1.6708 ZZZX=              6.2297
 ZZZY=             -3.8309 XXYY=           -527.5422 XXZZ=           -455.2367 YYZZ=           -146.4759
 XXYZ=             18.6855 YYXZ=             -1.5322 ZZXY=              4.0183
 N-N= 6.117799230319D+02 E-N=-2.305008161526D+03  KE= 4.631407806787D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:32:53 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.4865   -3.4882       -2.8063   -2.8071
 2      3.4865    3.4882        1.6325    1.6324      -25.2890  -25.2949
 3      2.8063    2.8071       34.9344   34.9360       -1.6321   -1.6324
 4     -1.6325   -1.6324       -0.0000    0.0000        2.8094    2.8071
 5     -9.6454   -9.6410       -2.8094   -2.8071       -3.4854   -3.4882
 6      1.6321    1.6324        3.4854    3.4882        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       10.4647   10.4647       -8.4213   -8.4213
 2     -4.8972   -4.8972       -0.0000    0.0000       -8.4213   -8.4213
 3     -4.8972   -4.8972       10.4647   10.4647       -0.0000    0.0000
 4     10.4647   10.4647        4.8972    4.8972      -75.8848  -75.8848
 5      8.4213    8.4213      104.8079  104.8079       -4.8972   -4.8972
 6    -28.9231  -28.9231       -8.4213   -8.4213      -10.4647  -10.4647
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0195    0.0000       13.9205   13.9529       11.1798   11.2284
 2    -13.9161  -13.9529       -6.5636   -6.5296      101.2538  101.1797
 3    -11.2375  -11.2284     -139.9466 -139.7438        6.5003    6.5296
 4      6.5643    6.5296       -0.0396    0.0000      -11.2662  -11.2284
 5     38.5976   38.5641       11.1066   11.2284       13.9580   13.9529
 6     -6.4836   -6.5296      -14.1196  -13.9529        0.0806    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1342    0.0000      -16.1031  -16.0675      -44.5982  -44.5108
 2     16.1118   16.0675      -18.4424  -18.2073       36.1191   36.0885
 3     44.5972   44.5108       20.7529   20.6183       18.2896   18.2073
 4     18.2456   18.2073       -0.1547    0.0000       44.6396   44.5108
 5    -56.7871  -56.7068      -44.7495  -44.5108      -15.9822  -16.0675
 6    -18.1936  -18.2073       16.3273   16.0675       -0.0771    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     33.9128   33.8609       24.4151   24.3601       38.1713   38.1692
 2     56.4744   56.5008       12.0346   12.3752       38.3229   38.1692
 3     56.4982   56.5008       24.1047   24.3601       56.4203   56.2973
 4     11.9314   11.9849      -22.9433  -22.6400       50.1578   50.1310
 5     18.2136   18.1282       41.4545   41.3237       22.6316   22.6400
 6    -91.7863  -91.4547      -18.5200  -18.1282      -11.7114  -11.9849
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.7161                 1.0055                 0.1603
  Dep-P Fr= 1--      0.7498                 0.6353                 0.7470
  Dep-U Fr= 1--      0.8570                 0.7770                 0.8552
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0000
 Beta2  Fr= 1--      0.2451                 0.1302                 0.0229
 AlphaG Fr= 1--      0.0004                -0.0134                -0.0001
 Gamma2 Fr= 1--      1.0111                 0.3031                -0.0678
 Delta2 Fr= 1--      0.5533                 0.2822                -0.0635
 Raman1 Fr= 1--       6.864                  4.022                  0.641
 ROA1   Fr= 1--     114.772                 38.130                 -8.540
 CID1   Fr= 1--      16.720                  9.480                -13.316
 Raman2 Fr= 1--       2.941                  1.563                  0.274
 ROA2   Fr= 1--      19.841                  5.017                 -1.118
 CID2   Fr= 1--       6.745                  3.211                 -4.078
 Raman3 Fr= 1--       5.883                  3.125                  0.548
 ROA3   Fr= 1--     114.772                 38.130                 -8.540
 CID3   Fr= 1--      19.509                 12.202                -15.571
 RC180  Fr= 1--       0.714                  0.554                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.1020                 0.8366                 0.5557
  Dep-P Fr= 1--      0.6565                 0.6455                 0.7102
  Dep-U Fr= 1--      0.7926                 0.7846                 0.8305
 Alpha2 Fr= 1--      0.0002                 0.0016                 0.0004
 Beta2  Fr= 1--      0.0135                 0.1094                 0.0769
 AlphaG Fr= 1--     -0.0008                -0.0306                 0.0028
 Gamma2 Fr= 1--     -0.0214                -0.8727                 0.5287
 Delta2 Fr= 1--      0.0373                -0.0667                -0.0997
 Raman1 Fr= 1--       0.408                  3.346                  2.223
 ROA1   Fr= 1--      -0.863                -85.918                 47.562
 CID1   Fr= 1--      -2.115                -25.676                 21.395
 Raman2 Fr= 1--       0.162                  1.313                  0.923
 ROA2   Fr= 1--      -0.812                -20.412                 13.486
 CID2   Fr= 1--      -5.020                -15.550                 14.609
 Raman3 Fr= 1--       0.324                  2.625                  1.846
 ROA3   Fr= 1--      -0.863                -85.918                 47.562
 CID3   Fr= 1--      -2.668                -32.726                 25.761
 RC180  Fr= 1--       0.585                  0.569                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.6814                 2.3691                 2.1166
  Dep-P Fr= 1--      0.6972                 0.2008                 0.2390
  Dep-U Fr= 1--      0.8216                 0.3344                 0.3858
 Alpha2 Fr= 1--      0.0006                 0.0321                 0.0259
 Beta2  Fr= 1--      0.0933                 0.1320                 0.1361
 AlphaG Fr= 1--      0.0044                 0.0034                 0.0167
 Gamma2 Fr= 1--     -0.1361                 0.2310                -0.2432
 Delta2 Fr= 1--     -0.0087                 0.1369                 0.1852
 Raman1 Fr= 1--       2.726                  9.476                  8.466
 ROA1   Fr= 1--     -13.346                 26.551                -17.419
 CID1   Fr= 1--      -4.896                  2.802                 -2.057
 Raman2 Fr= 1--       1.120                  1.585                  1.633
 ROA2   Fr= 1--      -3.197                  4.448                 -7.318
 CID2   Fr= 1--      -2.856                  2.807                 -4.481
 Raman3 Fr= 1--       2.239                  3.169                  3.266
 ROA3   Fr= 1--     -13.346                 26.551                -17.419
 CID3   Fr= 1--      -5.960                  8.378                 -5.333
 RC180  Fr= 1--       0.643                 -0.331                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.6534                 1.8473                 1.4687
  Dep-P Fr= 1--      0.1217                 0.2367                 0.4566
  Dep-U Fr= 1--      0.2171                 0.3828                 0.6269
 Alpha2 Fr= 1--      0.0274                 0.0227                 0.0088
 Beta2  Fr= 1--      0.0598                 0.1178                 0.1535
 AlphaG Fr= 1--      0.0494                 0.0585                -0.0322
 Gamma2 Fr= 1--      0.8439                -0.9483                 0.0919
 Delta2 Fr= 1--      0.1849                -0.1083                 0.0513
 Raman1 Fr= 1--       6.614                  7.389                  5.875
 ROA1   Fr= 1--      86.936                -94.507                 10.467
 CID1   Fr= 1--      13.145                -12.790                  1.782
 Raman2 Fr= 1--       0.718                  1.414                  1.841
 ROA2   Fr= 1--      18.776                -21.894                  1.795
 CID2   Fr= 1--      26.159                -15.482                  0.975
 Raman3 Fr= 1--       1.436                  2.828                  3.683
 ROA3   Fr= 1--      86.936                -94.507                 10.467
 CID3   Fr= 1--      60.560                -33.415                  2.842
 RC180  Fr= 1--      -0.566                 -0.234                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3799                 1.5799                 0.4356
  Dep-P Fr= 1--      0.7499                 0.2790                 0.3177
  Dep-U Fr= 1--      0.8570                 0.4363                 0.4822
 Alpha2 Fr= 1--      0.0000                 0.0172                 0.0042
 Beta2  Fr= 1--      0.0543                 0.1149                 0.0350
 AlphaG Fr= 1--     -0.0002                 0.0648                -0.0170
 Gamma2 Fr= 1--      0.2280                -0.0715                 0.2740
 Delta2 Fr= 1--      0.1277                -0.4150                -0.0850
 Raman1 Fr= 1--       1.519                  6.320                  1.743
 ROA1   Fr= 1--      25.977                -20.145                 23.581
 CID1   Fr= 1--      17.096                 -3.188                 13.533
 Raman2 Fr= 1--       0.651                  1.379                  0.420
 ROA2   Fr= 1--       4.451                  1.604                  7.256
 CID2   Fr= 1--       6.836                  1.163                 17.271
 Raman3 Fr= 1--       1.302                  2.757                  0.840
 ROA3   Fr= 1--      25.977                -20.145                 23.581
 CID3   Fr= 1--      19.948                 -7.306                 28.064
 RC180  Fr= 1--       0.714                 -0.127                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      1.4285                 4.1612                12.7222
  Dep-P Fr= 1--      0.5127                 0.0749                 0.1177
  Dep-U Fr= 1--      0.6779                 0.1394                 0.2106
 Alpha2 Fr= 1--      0.0066                 0.0774                 0.2132
 Beta2  Fr= 1--      0.1614                 0.0967                 0.4466
 AlphaG Fr= 1--     -0.0032                 0.1467                 0.0389
 Gamma2 Fr= 1--      0.6045                 0.2392                -0.2098
 Delta2 Fr= 1--     -0.1239                 0.2423                 0.3485
 Raman1 Fr= 1--       5.714                 16.645                 50.889
 ROA1   Fr= 1--      54.065                 30.715                 -8.986
 CID1   Fr= 1--       9.462                  1.845                 -0.177
 Raman2 Fr= 1--       1.937                  1.160                  5.360
 ROA2   Fr= 1--      15.499                  3.801                 -7.823
 CID2   Fr= 1--       8.003                  3.276                 -1.460
 Raman3 Fr= 1--       3.873                  2.321                 10.719
 ROA3   Fr= 1--      54.065                 30.715                 -8.986
 CID3   Fr= 1--      13.958                 13.235                 -0.838
 RC180  Fr= 1--       0.356                 -0.721                 -0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      5.0138                 6.6994                 4.3018
  Dep-P Fr= 1--      0.0824                 0.0094                 0.1050
  Dep-U Fr= 1--      0.1523                 0.0186                 0.1900
 Alpha2 Fr= 1--      0.0916                 0.1456                 0.0744
 Beta2  Fr= 1--      0.1273                 0.0208                 0.1362
 AlphaG Fr= 1--     -0.3507                -0.1181                -0.1300
 Gamma2 Fr= 1--     -1.5708                 0.2390                -0.4120
 Delta2 Fr= 1--      0.3885                 0.1059                -0.1815
 Raman1 Fr= 1--      20.055                 26.798                 17.207
 ROA1   Fr= 1--    -138.365                 26.330                -45.358
 CID1   Fr= 1--      -6.899                  0.983                 -2.636
 Raman2 Fr= 1--       1.527                  0.250                  1.635
 ROA2   Fr= 1--     -40.806                  4.888                 -8.435
 CID2   Fr= 1--     -26.722                 19.578                 -5.160
 Raman3 Fr= 1--       3.054                  0.499                  3.269
 ROA3   Fr= 1--    -138.365                 26.330                -45.358
 CID3   Fr= 1--     -45.304                 52.731                -13.874
 RC180  Fr= 1--      -0.695                 -0.963                 -0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     17.1583                19.9319                14.0573
  Dep-P Fr= 1--      0.5478                 0.5115                 0.6086
  Dep-U Fr= 1--      0.7079                 0.6768                 0.7567
 Alpha2 Fr= 1--      0.0664                 0.0932                 0.0366
 Beta2  Fr= 1--      2.0243                 2.2484                 1.7729
 AlphaG Fr= 1--     -0.0648                -0.5528                 0.4646
 Gamma2 Fr= 1--     -1.4512               -10.9670                 9.1432
 Delta2 Fr= 1--     -0.1740                -0.0733                 0.1258
 Raman1 Fr= 1--      68.633                 79.728                 56.229
 ROA1   Fr= 1--    -144.885              -1055.178                881.775
 CID1   Fr= 1--      -2.111                -13.235                 15.682
 Raman2 Fr= 1--      24.291                 26.981                 21.275
 ROA2   Fr= 1--     -33.438               -262.622                218.432
 CID2   Fr= 1--      -1.377                 -9.734                 10.267
 Raman3 Fr= 1--      48.582                 53.962                 42.550
 ROA3   Fr= 1--    -144.885              -1055.178                881.775
 CID3   Fr= 1--      -2.982                -19.554                 20.723
 RC180  Fr= 1--       0.416                  0.354                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--     12.6481                 2.3845                18.8916
  Dep-P Fr= 1--      0.3885                 0.7353                 0.4171
  Dep-U Fr= 1--      0.5596                 0.8475                 0.5887
 Alpha2 Fr= 1--      0.0976                 0.0006                 0.1315
 Beta2  Fr= 1--      1.1796                 0.3368                 1.8535
 AlphaG Fr= 1--      0.4308                 0.0116                 0.2961
 Gamma2 Fr= 1--      2.5156                 3.6026                 4.2041
 Delta2 Fr= 1--     -1.4059                 0.9207                 1.1277
 Raman1 Fr= 1--      50.593                  9.538                 75.566
 ROA1   Fr= 1--     196.511                375.307                439.681
 CID1   Fr= 1--       3.884                 39.349                  5.818
 Raman2 Fr= 1--      14.155                  4.042                 22.241
 ROA2   Fr= 1--      71.622                 79.096                 91.877
 CID2   Fr= 1--       5.060                 19.570                  4.131
 Raman3 Fr= 1--      28.311                  8.083                 44.483
 ROA3   Fr= 1--     196.511                375.307                439.681
 CID3   Fr= 1--       6.941                 46.430                  9.884
 RC180  Fr= 1--       0.119                  0.695                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     19.8975                36.5011                 6.4876
  Dep-P Fr= 1--      0.2836                 0.3042                 0.4401
  Dep-U Fr= 1--      0.4419                 0.4665                 0.6112
 Alpha2 Fr= 1--      0.2142                 0.3697                 0.0414
 Beta2  Fr= 1--      1.4654                 2.8379                 0.6608
 AlphaG Fr= 1--      0.1034                 0.6411                -0.0575
 Gamma2 Fr= 1--     -0.3380                 8.4857                 0.2447
 Delta2 Fr= 1--     -0.8807                 0.7389                 0.3415
 Raman1 Fr= 1--      79.590                146.004                 25.950
 ROA1   Fr= 1--     -60.628                838.275                 34.415
 CID1   Fr= 1--      -0.762                  5.741                  1.326
 Raman2 Fr= 1--      17.585                 34.055                  7.930
 ROA2   Fr= 1--      -1.066                197.746                  3.141
 CID2   Fr= 1--      -0.061                  5.807                  0.396
 Raman3 Fr= 1--      35.169                 68.109                 15.860
 ROA3   Fr= 1--     -60.628                838.275                 34.415
 CID3   Fr= 1--      -1.724                 12.308                  2.170
 RC180  Fr= 1--      -0.116                 -0.067                  0.222
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.3964                 5.2134                 0.7085
  Dep-P Fr= 1--      0.6079                 0.2617                 0.5383
  Dep-U Fr= 1--      0.7561                 0.4149                 0.6999
 Alpha2 Fr= 1--      0.0194                 0.0598                 0.0029
 Beta2  Fr= 1--      0.9321                 0.3605                 0.0826
 AlphaG Fr= 1--     -0.3505                 0.6366                -0.0065
 Gamma2 Fr= 1--     -2.4774                 3.0352                 0.2522
 Delta2 Fr= 1--      0.7360                -0.1719                -0.1538
 Raman1 Fr= 1--      29.586                 20.854                  2.834
 ROA1   Fr= 1--    -214.277                285.882                 19.289
 CID1   Fr= 1--      -7.243                 13.709                  6.806
 Raman2 Fr= 1--      11.185                  4.326                  0.992
 ROA2   Fr= 1--     -65.345                 74.221                  7.282
 CID2   Fr= 1--      -5.842                 17.159                  7.343
 Raman3 Fr= 1--      22.370                  8.651                  1.983
 ROA3   Fr= 1--    -214.277                285.882                 19.289
 CID3   Fr= 1--      -9.579                 33.045                  9.725
 RC180  Fr= 1--       0.512                 -0.170                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--     11.1637                11.9571               110.5440
  Dep-P Fr= 1--      0.3142                 0.1746                 0.3396
  Dep-U Fr= 1--      0.4782                 0.2973                 0.5071
 Alpha2 Fr= 1--      0.1097                 0.1736                 1.0033
 Beta2  Fr= 1--      0.8897                 0.5924                 9.3420
 AlphaG Fr= 1--     -0.1546                 0.1643                 1.7079
 Gamma2 Fr= 1--      0.3640                -1.1696                12.1225
 Delta2 Fr= 1--      1.3101                -0.6325                -0.2264
 Raman1 Fr= 1--      44.655                 47.828                442.176
 ROA1   Fr= 1--      76.865               -132.523               1156.518
 CID1   Fr= 1--       1.721                 -2.771                  2.616
 Raman2 Fr= 1--      10.677                  7.109                112.104
 ROA2   Fr= 1--      -1.746                -23.011                292.752
 CID2   Fr= 1--      -0.164                 -3.237                  2.611
 Raman3 Fr= 1--      21.353                 14.219                224.207
 ROA3   Fr= 1--      76.865               -132.523               1156.518
 CID3   Fr= 1--       3.600                 -9.320                  5.158
 RC180  Fr= 1--      -0.044                 -0.405                  0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.9114                22.5913                23.1974
  Dep-P Fr= 1--      0.7500                 0.4379                 0.3135
  Dep-U Fr= 1--      0.8571                 0.6091                 0.4774
 Alpha2 Fr= 1--      0.0000                 0.1453                 0.2284
 Beta2  Fr= 1--      0.2731                 2.2935                 1.8457
 AlphaG Fr= 1--      0.0001                 0.2498                 0.2985
 Gamma2 Fr= 1--      0.2469                -0.8004                 2.5117
 Delta2 Fr= 1--      0.1569                -0.1838                -3.1338
 Raman1 Fr= 1--       7.646                 90.365                 92.790
 ROA1   Fr= 1--      28.727                -82.720                140.843
 CID1   Fr= 1--       3.757                 -0.915                  1.518
 Raman2 Fr= 1--       3.277                 27.522                 22.148
 ROA2   Fr= 1--       4.672                -17.740                 85.351
 CID2   Fr= 1--       1.426                 -0.645                  3.854
 Raman3 Fr= 1--       6.553                 55.043                 44.296
 ROA3   Fr= 1--      28.727                -82.720                140.843
 CID3   Fr= 1--       4.383                 -1.503                  3.180
 RC180  Fr= 1--       0.714                  0.218                 -0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     17.4133                 9.4113                14.9673
  Dep-P Fr= 1--      0.2792                 0.5439                 0.2123
  Dep-U Fr= 1--      0.4366                 0.7046                 0.3502
 Alpha2 Fr= 1--      0.1899                 0.0372                 0.1967
 Beta2  Fr= 1--      1.2670                 1.1052                 0.8736
 AlphaG Fr= 1--      0.0104                 0.0275                -0.0015
 Gamma2 Fr= 1--      4.8422                 2.5669                 0.2153
 Delta2 Fr= 1--      2.8033                 0.3279                -0.2430
 Raman1 Fr= 1--      69.653                 37.645                 59.869
 ROA1   Fr= 1--     554.556                256.914                 12.892
 CID1   Fr= 1--       7.962                  6.825                  0.215
 Raman2 Fr= 1--      15.204                 13.262                 10.483
 ROA2   Fr= 1--      93.787                 58.983                  7.111
 CID2   Fr= 1--       6.169                  4.447                  0.678
 Raman3 Fr= 1--      30.407                 26.525                 20.966
 ROA3   Fr= 1--     554.556                256.914                 12.892
 CID3   Fr= 1--      18.238                  9.686                  0.615
 RC180  Fr= 1--      -0.127                  0.409                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     36.1529                32.7972                13.4837
  Dep-P Fr= 1--      0.1989                 0.2404                 0.2844
  Dep-U Fr= 1--      0.3318                 0.3876                 0.4429
 Alpha2 Fr= 1--      0.4924                 0.3992                 0.1448
 Beta2  Fr= 1--      1.9993                 2.1189                 0.9952
 AlphaG Fr= 1--      0.1153                 0.2078                -0.1053
 Gamma2 Fr= 1--      0.4753                 8.8684                -1.4548
 Delta2 Fr= 1--      0.4931                 4.3471                -2.2861
 Raman1 Fr= 1--     144.612                131.189                 53.935
 ROA1   Fr= 1--      61.412                990.473               -212.816
 CID1   Fr= 1--       0.425                  7.550                 -3.946
 Raman2 Fr= 1--      23.992                 25.426                 11.943
 ROA2   Fr= 1--       7.463                178.065                -16.627
 CID2   Fr= 1--       0.311                  7.003                 -1.392
 Raman3 Fr= 1--      47.984                 50.852                 23.885
 ROA3   Fr= 1--      61.412                990.473               -212.816
 CID3   Fr= 1--       1.280                 19.477                 -8.910
 RC180  Fr= 1--      -0.336                 -0.225                 -0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     41.5098                 0.9330                 2.4697
  Dep-P Fr= 1--      0.3440                 0.5724                 0.3220
  Dep-U Fr= 1--      0.5119                 0.7280                 0.4871
 Alpha2 Fr= 1--      0.3716                 0.0031                 0.0237
 Beta2  Fr= 1--      3.5414                 0.1132                 0.2005
 AlphaG Fr= 1--      0.1567                 0.0034                -0.0073
 Gamma2 Fr= 1--      3.0867                 0.3970                 0.1374
 Delta2 Fr= 1--     -0.1062                -0.0992                 0.2600
 Raman1 Fr= 1--     166.039                  3.732                  9.879
 ROA1   Fr= 1--     292.927                 34.941                 21.511
 CID1   Fr= 1--       1.764                  9.362                  2.177
 Raman2 Fr= 1--      42.497                  1.359                  2.406
 ROA2   Fr= 1--      74.931                 10.322                  1.217
 CID2   Fr= 1--       1.763                  7.598                  0.506
 Raman3 Fr= 1--      84.994                  2.717                  4.812
 ROA3   Fr= 1--     292.927                 34.941                 21.511
 CID3   Fr= 1--       3.446                 12.860                  4.470
 RC180  Fr= 1--       0.024                  0.456                 -0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.7959                 3.3618                 4.5709
  Dep-P Fr= 1--      0.6722                 0.7376                 0.7496
  Dep-U Fr= 1--      0.8039                 0.8490                 0.8569
 Alpha2 Fr= 1--      0.0025                 0.0007                 0.0000
 Beta2  Fr= 1--      0.2406                 0.4757                 0.6528
 AlphaG Fr= 1--      0.0136                 0.0057                -0.0029
 Gamma2 Fr= 1--      0.2721                 0.0635                -0.5986
 Delta2 Fr= 1--     -0.1574                 0.0976                 0.0111
 Raman1 Fr= 1--       7.183                 13.447                 18.283
 ROA1   Fr= 1--      21.085                  9.223                -57.107
 CID1   Fr= 1--       2.935                  0.686                 -3.123
 Raman2 Fr= 1--       2.888                  5.708                  7.833
 ROA2   Fr= 1--       7.789                  0.744                -14.454
 CID2   Fr= 1--       2.698                  0.130                 -1.845
 Raman3 Fr= 1--       5.775                 11.417                 15.666
 ROA3   Fr= 1--      21.085                  9.223                -57.107
 CID3   Fr= 1--       3.651                  0.808                 -3.645
 RC180  Fr= 1--       0.608                  0.698                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      3.7435                 8.6701                 4.3693
  Dep-P Fr= 1--      0.7493                 0.7329                 0.6192
  Dep-U Fr= 1--      0.8567                 0.8458                 0.7648
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.0105
 Beta2  Fr= 1--      0.5345                 1.2222                 0.5569
 AlphaG Fr= 1--      0.0004                -0.0031                 0.0308
 Gamma2 Fr= 1--      1.6998                -1.7241                -0.3702
 Delta2 Fr= 1--      0.0721                -0.2741                 0.9040
 Raman1 Fr= 1--      14.974                 34.680                 17.477
 ROA1   Fr= 1--     165.487               -174.282                 -6.609
 CID1   Fr= 1--      11.052                 -5.025                 -0.378
 Raman2 Fr= 1--       6.414                 14.667                  6.683
 ROA2   Fr= 1--      40.219                -39.185                -16.116
 CID2   Fr= 1--       6.271                 -2.672                 -2.411
 Raman3 Fr= 1--      12.828                 29.334                 13.367
 ROA3   Fr= 1--     165.487               -174.282                 -6.609
 CID3   Fr= 1--      12.901                 -5.941                 -0.494
 RC180  Fr= 1--       0.713                  0.692                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--     14.5314                 3.1168                 1.5165
  Dep-P Fr= 1--      0.4442                 0.7232                 0.5170
  Dep-U Fr= 1--      0.6151                 0.8394                 0.6816
 Alpha2 Fr= 1--      0.0912                 0.0014                 0.0069
 Beta2  Fr= 1--      1.4898                 0.4360                 0.1723
 AlphaG Fr= 1--      0.0755                -0.0124                 0.0033
 Gamma2 Fr= 1--      0.6541                 0.7102                 0.0801
 Delta2 Fr= 1--     -1.7230                -0.8400                 0.2918
 Raman1 Fr= 1--      58.126                 12.467                  6.066
 ROA1   Fr= 1--       7.654                 41.299                 17.027
 CID1   Fr= 1--       0.132                  3.313                  2.807
 Raman2 Fr= 1--      17.877                  5.232                  2.067
 ROA2   Fr= 1--      29.482                 23.765                 -0.412
 CID2   Fr= 1--       1.649                  4.542                 -0.199
 Raman3 Fr= 1--      35.754                 10.464                  4.135
 ROA3   Fr= 1--       7.654                 41.299                 17.027
 CID3   Fr= 1--       0.214                  3.947                  4.118
 RC180  Fr= 1--       0.230                  0.679                  0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    445.3555               273.2828                80.3251
  Dep-P Fr= 1--      0.2853                 0.3415                 0.4955
  Dep-U Fr= 1--      0.4439                 0.5091                 0.6626
 Alpha2 Fr= 1--      4.7711                 2.4657                 0.4051
 Beta2  Fr= 1--     32.9506                23.1893                 8.8709
 AlphaG Fr= 1--      1.8825                 0.3914                -1.0588
 Gamma2 Fr= 1--     19.2488                 0.8025                -5.0592
 Delta2 Fr= 1--      1.6855                 1.2553               -12.8560
 Raman1 Fr= 1--    1781.422               1093.131                321.301
 ROA1   Fr= 1--    1901.820                117.211               -897.080
 CID1   Fr= 1--       1.068                  0.107                 -2.792
 Raman2 Fr= 1--     395.407                278.272                106.451
 ROA2   Fr= 1--     448.487                  9.219                -18.574
 CID2   Fr= 1--       1.134                  0.033                 -0.174
 Raman3 Fr= 1--     790.813                556.543                212.902
 ROA3   Fr= 1--    1901.820                117.211               -897.080
 CID3   Fr= 1--       2.405                  0.211                 -4.214
 RC180  Fr= 1--      -0.112                  0.018                  0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    169.8851               212.8158               157.8901
  Dep-P Fr= 1--      0.0360                 0.0199                 0.0099
  Dep-U Fr= 1--      0.0695                 0.0389                 0.0196
 Alpha2 Fr= 1--      3.4693                 4.5144                 3.4283
 Beta2  Fr= 1--      1.9665                 1.3811                 0.5164
 AlphaG Fr= 1--     -1.5447                -0.5628                 1.0147
 Gamma2 Fr= 1--     -5.4646                 3.0036                 1.2019
 Delta2 Fr= 1--     -3.0452                 0.0296                -2.1347
 Raman1 Fr= 1--     679.540                851.263                631.560
 ROA1   Fr= 1--    -622.043                289.291                 47.076
 CID1   Fr= 1--      -0.915                  0.340                  0.075
 Raman2 Fr= 1--      23.598                 16.573                  6.197
 ROA2   Fr= 1--    -106.788                 71.849                 45.924
 CID2   Fr= 1--      -4.525                  4.335                  7.411
 Raman3 Fr= 1--      47.197                 33.146                 12.394
 ROA3   Fr= 1--    -622.043                289.291                 47.076
 CID3   Fr= 1--     -13.180                  8.728                  3.798
 RC180  Fr= 1--      -0.861                 -0.922                 -0.961
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    214.4202               132.7766                62.1083
  Dep-P Fr= 1--      0.1027                 0.0801                 0.5930
  Dep-U Fr= 1--      0.1862                 0.1483                 0.7445
 Alpha2 Fr= 1--      3.7297                 2.4401                 0.1814
 Beta2  Fr= 1--      6.6551                 3.2816                 7.7067
 AlphaG Fr= 1--     -0.1996                 0.2962                 0.1951
 Gamma2 Fr= 1--      3.3312                 6.7067                 0.3458
 Delta2 Fr= 1--     -4.7056                -6.3641                 3.1266
 Raman1 Fr= 1--     857.681                531.106                248.433
 ROA1   Fr= 1--     169.218                440.197                133.246
 CID1   Fr= 1--       0.197                  0.829                  0.536
 Raman2 Fr= 1--      79.861                 39.379                 92.480
 ROA2   Fr= 1--     117.594                211.874                -16.714
 CID2   Fr= 1--       1.472                  5.380                 -0.181
 Raman3 Fr= 1--     159.722                 78.759                184.960
 ROA3   Fr= 1--     169.218                440.197                133.246
 CID3   Fr= 1--       1.059                  5.589                  0.720
 RC180  Fr= 1--      -0.628                 -0.703                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     59.7977               107.1436                39.3037
  Dep-P Fr= 1--      0.7032                 0.7210                 0.7279
  Dep-U Fr= 1--      0.8257                 0.8379                 0.8425
 Alpha2 Fr= 1--      0.0487                 0.0534                 0.0149
 Beta2  Fr= 1--      8.2295                14.9629                 5.5189
 AlphaG Fr= 1--     -0.0458                 0.1095                 0.2183
 Gamma2 Fr= 1--     12.7083                 8.3553                13.4411
 Delta2 Fr= 1--     13.2173                 1.8179                 9.6164
 Raman1 Fr= 1--     239.191                428.575                157.215
 ROA1   Fr= 1--    1642.951                860.279               1598.073
 CID1   Fr= 1--       6.869                  2.007                 10.165
 Raman2 Fr= 1--      98.754                179.555                 66.227
 ROA2   Fr= 1--     199.261                185.984                245.655
 CID2   Fr= 1--       2.018                  1.036                  3.709
 Raman3 Fr= 1--     197.507                359.110                132.454
 ROA3   Fr= 1--    1642.951                860.279               1598.073
 CID3   Fr= 1--       8.318                  2.396                 12.065
 RC180  Fr= 1--       0.651                  0.676                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--    118.5882                32.2165                83.8252
  Dep-P Fr= 1--      0.5824                 0.6435                 0.5990
  Dep-U Fr= 1--      0.7361                 0.7831                 0.7492
 Alpha2 Fr= 1--      0.3722                 0.0618                 0.2345
 Beta2  Fr= 1--     14.5483                 4.2049                10.4676
 AlphaG Fr= 1--      0.2515                 0.0926                 0.7392
 Gamma2 Fr= 1--    -39.4263                13.4797                -2.5315
 Delta2 Fr= 1--     -3.0919                -1.0101                -4.8897
 Raman1 Fr= 1--     474.353                128.866                335.301
 ROA1   Fr= 1--   -3883.871               1261.727               -399.492
 CID1   Fr= 1--      -8.188                  9.791                 -1.191
 Raman2 Fr= 1--     174.580                 50.458                125.611
 ROA2   Fr= 1--    -921.497                331.594                -21.637
 CID2   Fr= 1--      -5.278                  6.572                 -0.172
 Raman3 Fr= 1--     349.160                100.917                251.222
 ROA3   Fr= 1--   -3883.871               1261.727               -399.492
 CID3   Fr= 1--     -11.123                 12.503                 -1.590
 RC180  Fr= 1--       0.472                  0.566                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     74.8156                89.9237                48.2391
  Dep-P Fr= 1--      0.1911                 0.5901                 0.2008
  Dep-U Fr= 1--      0.3209                 0.7422                 0.3345
 Alpha2 Fr= 1--      1.0401                 0.2679                 0.6537
 Beta2  Fr= 1--      4.0014                11.1239                 2.6892
 AlphaG Fr= 1--      0.4134                -0.1614                -0.6534
 Gamma2 Fr= 1--     -0.0581                -0.5005                -0.0816
 Delta2 Fr= 1--      1.0659                -3.1283                 2.0692
 Raman1 Fr= 1--     299.262                359.695                192.956
 ROA1   Fr= 1--      28.529               -148.157                 58.376
 CID1   Fr= 1--       0.095                 -0.412                  0.303
 Raman2 Fr= 1--      48.017                133.487                 32.270
 ROA2   Fr= 1--      -9.922                 13.014                -18.513
 CID2   Fr= 1--      -0.207                  0.097                 -0.574
 Raman3 Fr= 1--      96.033                266.973                 64.540
 ROA3   Fr= 1--      28.529               -148.157                 58.376
 CID3   Fr= 1--       0.297                 -0.555                  0.904
 RC180  Fr= 1--      -0.358                  0.484                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.174092D+03 -0.561421D+01  0.697644D+01
      2  -0.561421D+01  0.123502D+03 -0.326478D+01
      3   0.697644D+01 -0.326478D+01  0.104220D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.289587D+01 -0.176329D+01 -0.117901D+02
      2   0.462741D+02 -0.151484D+02 -0.369229D+02
      3  -0.427740D+01  0.187155D+02  0.132050D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.678793D+02 -0.153564D+02  0.372062D+02
      2  -0.170092D+02  0.183377D+02 -0.190911D+02
      3  -0.508701D+02 -0.298124D+01 -0.181151D+02
      4   0.401922D+01 -0.343208D+02 -0.347028D+02
      5   0.325537D+02 -0.332349D+02 -0.908216D+02
      6  -0.111052D+02 -0.561550D+01  0.283793D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.394572D+01 -0.196992D+01 -0.426769D+01 -0.947992D+00 -0.400603D+01
      2  -0.196992D+01 -0.387732D+01  0.226125D+01 -0.400603D+01 -0.204030D+01
      3  -0.426769D+01  0.226125D+01  0.375695D+01  0.236569D+01 -0.217462D+01
                 6             7             8             9            10 
      1   0.236569D+01 -0.314636D+01  0.277986D+01  0.351405D+01 -0.269792D+02
      2  -0.217462D+01  0.277986D+01 -0.123727D+01  0.894676D+00  0.427622D+01
      3   0.180207D+01  0.351405D+01  0.894676D+00  0.110155D+01  0.349361D+01
                11            12            13            14            15 
      1   0.427622D+01  0.349361D+01  0.149152D+02  0.208348D+01 -0.305409D+01
      2   0.280881D+01 -0.233422D+01  0.208348D+01  0.465849D+01  0.149206D+01
      3  -0.233422D+01 -0.385449D+01 -0.305409D+01  0.149206D+01 -0.107468D+01
                16            17            18            19            20 
      1   0.165356D+02 -0.406628D+01 -0.604625D+01  0.409987D+02 -0.481231D+01
      2  -0.406628D+01  0.308309D+01 -0.476259D+00 -0.481231D+01  0.322486D+01
      3  -0.604625D+01 -0.476259D+00 -0.325062D+01  0.853427D+00  0.106745D+01
                21            22            23            24            25 
      1   0.853427D+00 -0.135858D+02  0.299083D+01  0.221087D+01 -0.646848D+01
      2   0.106745D+01  0.299083D+01  0.157422D+01 -0.175139D+01  0.251241D+01
      3   0.300405D+01  0.221087D+01 -0.175139D+01 -0.246537D+01  0.679562D+01
                26            27            28            29            30 
      1   0.251241D+01  0.679562D+01 -0.556181D+02  0.481004D+01 -0.469087D+01
      2  -0.307738D+01 -0.186568D+01  0.481004D+01 -0.237109D+01 -0.241764D+00
      3  -0.186568D+01  0.551647D+01 -0.469087D+01 -0.241764D+00 -0.236464D+01
                31            32            33            34            35 
      1   0.158048D+02 -0.448606D+01  0.888688D+00 -0.154716D+02  0.496716D-01
      2  -0.448606D+01 -0.155017D+01  0.118708D+01  0.496716D-01  0.103658D+01
      3   0.888688D+00  0.118708D+01  0.189649D+01 -0.665760D+01  0.102185D+01
                36            37            38            39            40 
      1  -0.665760D+01  0.519427D+02 -0.694707D+01  0.641418D+01 -0.121378D+02
      2   0.102185D+01 -0.694707D+01  0.870061D+00 -0.342155D+00  0.371307D+01
      3  -0.488241D+01  0.641418D+01 -0.342155D+00  0.244161D+01 -0.600286D+00
                41            42            43            44            45 
      1   0.371307D+01 -0.600286D+00  0.160271D+02 -0.113118D+01  0.543271D+01
      2   0.274384D+01 -0.174763D+01 -0.113118D+01 -0.189116D+01 -0.131182D+01
      3  -0.174763D+01 -0.216347D+01  0.543271D+01 -0.131182D+01  0.261389D+01
                46            47            48            49            50 
      1  -0.380565D+02  0.758086D+01 -0.708684D+01  0.106709D+02 -0.429555D+01
      2   0.758086D+01 -0.174898D+01  0.207721D+01 -0.429555D+01 -0.346132D+01
      3  -0.708684D+01  0.207721D+01 -0.727659D+00  0.336198D+01  0.370915D+00
                51            52            53            54            55 
      1   0.336198D+01 -0.106198D+02  0.314604D+01 -0.161071D+01  0.338133D+02
      2   0.370915D+00  0.314604D+01  0.674547D+00  0.895273D+00 -0.688147D+01
      3   0.104755D+01 -0.161071D+01  0.895273D+00 -0.680272D+00  0.555910D+01
                56            57            58            59            60 
      1  -0.688147D+01  0.555910D+01 -0.243060D+02  0.727631D+01 -0.418921D+01
      2   0.266982D+01 -0.128213D+01  0.727631D+01 -0.469000D+01  0.166311D+01
      3  -0.128213D+01  0.186612D+01 -0.418921D+01  0.166311D+01 -0.172407D+01
                61            62            63            64            65 
      1   0.120807D+02 -0.197548D+01  0.614213D+01  0.712589D+01 -0.293579D+01
      2  -0.197548D+01  0.669400D+00 -0.266596D+01 -0.293579D+01 -0.345657D+01
      3   0.614213D+01 -0.266596D+01  0.360446D+01 -0.231177D+01  0.289101D+01
                66            67            68            69            70 
      1  -0.231177D+01 -0.244817D+01 -0.243467D+01  0.313453D+01 -0.503873D+01
      2   0.289101D+01 -0.243467D+01 -0.363975D+01 -0.519630D+00  0.325986D+01
      3   0.287323D+01  0.313453D+01 -0.519630D+00  0.195522D+01  0.414311D+01
                71            72            73            74            75 
      1   0.325986D+01  0.414311D+01  0.358218D+01  0.233491D+01  0.143303D+01
      2  -0.139245D+01  0.623562D+00  0.233491D+01 -0.291563D+01 -0.953840D+00
      3   0.623562D+00  0.479794D+01  0.143303D+01 -0.953840D+00  0.305640D+01
                76            77            78            79            80 
      1   0.340792D+01 -0.286162D+01 -0.196678D+01 -0.156054D+01 -0.148502D+01
      2  -0.286162D+01 -0.602800D+01 -0.441491D+00 -0.148502D+01 -0.958543D+00
      3  -0.196678D+01 -0.441491D+00  0.139626D+01  0.554271D+01  0.236038D+01
                81            82            83            84            85 
      1   0.554271D+01  0.386826D+01 -0.236136D+01 -0.222709D+01 -0.360529D+01
      2   0.236038D+01 -0.236136D+01 -0.174758D+01  0.186474D+01 -0.245540D+01
      3  -0.141923D+01 -0.222709D+01  0.186474D+01 -0.783674D+00  0.152365D+01
                86            87            88            89            90 
      1  -0.245540D+01  0.152365D+01 -0.233252D+01  0.200922D+01 -0.124576D+01
      2   0.166124D+01  0.305584D+01  0.200922D+01  0.434588D+01  0.283200D+01
      3   0.305584D+01  0.216127D+01 -0.124576D+01  0.283200D+01 -0.443011D+00
                91            92            93            94            95 
      1  -0.924773D+01 -0.205158D+01 -0.218940D+01  0.491146D+00  0.400862D+01
      2  -0.205158D+01  0.394281D+01 -0.141376D+00  0.400862D+01  0.192077D+01
      3  -0.218940D+01 -0.141376D+00  0.193775D+01 -0.158611D+00 -0.141550D+01
                96            97            98            99           100 
      1  -0.158611D+00 -0.336634D+01 -0.308159D+00  0.407524D+00 -0.659865D+01
      2  -0.141550D+01 -0.308159D+00 -0.134709D+01 -0.275104D+01 -0.172848D+01
      3  -0.187463D+01  0.407524D+00 -0.275104D+01  0.393976D+01 -0.280657D+01
               101           102           103           104           105 
      1  -0.172848D+01 -0.280657D+01 -0.236259D+00 -0.909681D+00 -0.143543D+00
      2  -0.126735D+01 -0.522522D+00 -0.909681D+00 -0.258288D+00 -0.517203D+00
      3  -0.522522D+00 -0.225669D+01 -0.143543D+00 -0.517203D+00 -0.338199D+00
               106           107           108           109           110 
      1  -0.519791D+01 -0.856603D+00 -0.323815D+01 -0.287672D+01 -0.164474D+01
      2  -0.856603D+00 -0.139815D+01 -0.110328D+01 -0.164474D+01 -0.774162D+00
      3  -0.323815D+01 -0.110328D+01 -0.278830D+01  0.190861D+01  0.875653D+00
               111           112           113           114           115 
      1   0.190861D+01 -0.707476D+00 -0.144141D+01  0.104847D+01  0.516848D+01
      2   0.875653D+00 -0.144141D+01 -0.135708D+01  0.132780D+01  0.212190D+01
      3  -0.199701D+01  0.104847D+01  0.132780D+01 -0.131065D+01 -0.433028D+01
               116           117           118           119           120 
      1   0.212190D+01 -0.433028D+01 -0.645729D+01  0.102811D+01 -0.196340D+01
      2   0.237166D+01 -0.221680D+01  0.102811D+01 -0.479261D+00  0.120390D-01
      3  -0.221680D+01  0.534690D+01 -0.196340D+01  0.120390D-01 -0.189499D+01
               121           122           123           124           125 
      1   0.507280D+01 -0.116417D+01  0.184165D+00 -0.328126D+01 -0.943730D-01
      2  -0.116417D+01  0.193297D+00 -0.992417D+00 -0.943730D-01 -0.115101D+01
      3   0.184165D+00 -0.992417D+00  0.117857D+01 -0.377497D+01  0.966074D+00
               126           127           128           129           130 
      1  -0.377497D+01  0.198733D+01 -0.229399D+00  0.963708D+00 -0.326384D+00
      2   0.966074D+00 -0.229399D+00  0.155832D+01 -0.800639D+00  0.827497D+00
      3  -0.881718D+01  0.963708D+00 -0.800639D+00  0.128086D+01 -0.540428D+00
               131           132           133           134           135 
      1   0.827497D+00 -0.540428D+00  0.173964D+01 -0.683209D+00  0.903116D+00
      2  -0.231902D+01  0.872139D+00 -0.683209D+00  0.199123D+01 -0.179411D+01
      3   0.872139D+00 -0.116305D+01  0.903116D+00 -0.179411D+01  0.291425D+01
               136           137           138           139           140 
      1  -0.985963D+00 -0.101988D+01 -0.437156D+00 -0.989876D-01 -0.445627D+00
      2  -0.101988D+01 -0.220600D+00 -0.249939D+00 -0.445627D+00 -0.739238D+01
      3  -0.437156D+00 -0.249939D+00 -0.225893D-01 -0.258231D+00 -0.348139D+01
               141           142           143           144           145 
      1  -0.258231D+00 -0.104321D+01 -0.475505D+00  0.713687D-01  0.214341D+01
      2  -0.348139D+01 -0.475505D+00 -0.511603D+01 -0.367297D+01  0.194955D+01
      3  -0.238962D+01  0.713687D-01 -0.367297D+01 -0.332028D+01  0.644253D+00
               146           147           148           149           150 
      1   0.194955D+01  0.644253D+00  0.165305D+01  0.238078D+01  0.215433D+00
      2   0.283868D+01  0.570966D+00  0.238078D+01  0.559846D+01  0.151308D+01
      3   0.570966D+00  0.773416D+00  0.215433D+00  0.151308D+01  0.149284D+01
               151           152           153           154           155 
      1  -0.284437D+00 -0.657643D-01  0.231463D+00  0.182695D+01 -0.863431D+00
      2  -0.657643D-01  0.933633D-01  0.601432D+00 -0.863431D+00  0.152311D+01
      3   0.231463D+00  0.601432D+00  0.333075D+00  0.132683D+01 -0.739422D+00
               156           157           158           159           160 
      1   0.132683D+01 -0.129991D+01  0.140677D+01 -0.936666D+00  0.904527D+00
      2  -0.739422D+00  0.140677D+01 -0.235104D+01  0.136077D+01 -0.721765D+00
      3   0.148501D+01 -0.936666D+00  0.136077D+01 -0.268362D+01  0.750869D+00
               161           162           163           164           165 
      1  -0.721765D+00  0.750869D+00 -0.569158D+01  0.169395D+01  0.394225D+01
      2   0.117691D+01 -0.122548D+01  0.169395D+01 -0.120567D+01 -0.155766D+01
      3  -0.122548D+01  0.256902D+01  0.394225D+01 -0.155766D+01 -0.447020D+01
               166           167           168           169           170 
      1   0.642765D+00 -0.733839D+00 -0.854273D+00  0.220480D+01 -0.107527D+01
      2  -0.733839D+00  0.123769D+01  0.134417D+01 -0.107527D+01  0.100935D+01
      3  -0.854273D+00  0.134417D+01  0.852956D+00 -0.320653D+01  0.130608D+01
               171           172           173           174           175 
      1  -0.320653D+01 -0.245268D+01  0.326035D+00 -0.167838D+01 -0.939050D+00
      2   0.130608D+01  0.326035D+00 -0.917082D-01 -0.196601D+00  0.504855D-01
      3   0.457356D+01 -0.167838D+01 -0.196601D+00 -0.220239D+01 -0.865566D+00
               176           177           178           179           180 
      1   0.504855D-01 -0.865566D+00 -0.240891D+01  0.196367D+00 -0.336585D+01
      2  -0.346826D+00 -0.746462D+00  0.196367D+00 -0.137072D+01  0.193623D+00
      3  -0.746462D+00 -0.151047D+01 -0.336585D+01  0.193623D+00 -0.711866D+01
               181           182           183           184           185 
      1   0.110628D+01  0.136300D+01  0.344249D-01  0.158130D+01  0.876499D+00
      2   0.136300D+01  0.391587D+01 -0.887730D+00  0.876499D+00  0.800746D+01
      3   0.344249D-01 -0.887730D+00  0.642174D+00 -0.253496D+00 -0.122916D+01
               186           187           188           189           190 
      1  -0.253496D+00  0.443274D+00 -0.488565D+00 -0.152274D+00 -0.834490D+01
      2  -0.122916D+01 -0.488565D+00 -0.565780D+00  0.108569D+01  0.364537D+01
      3   0.102610D+01 -0.152274D+00  0.108569D+01 -0.863607D+00  0.204252D+01
               191           192           193           194           195 
      1   0.364537D+01  0.204252D+01  0.164535D+01 -0.187670D+01 -0.823039D+00
      2  -0.206796D+01 -0.897332D+00 -0.187670D+01  0.214279D+01  0.610598D+00
      3  -0.897332D+00 -0.187032D+01 -0.823039D+00  0.610598D+00  0.342548D+00
               196           197           198           199           200 
      1   0.528006D+01 -0.235633D+01 -0.237841D+01 -0.459502D+00  0.147349D+01
      2  -0.235633D+01  0.209404D+01  0.926456D+00  0.147349D+01  0.824646D+00
      3  -0.237841D+01  0.926456D+00  0.153152D+01 -0.663110D+00 -0.137405D+00
               201           202           203           204           205 
      1  -0.663110D+00  0.183137D+01  0.109477D+01  0.421615D-01 -0.196262D+01
      2  -0.137405D+00  0.109477D+01  0.578416D+01 -0.174995D+01  0.437723D+00
      3  -0.117606D+00  0.421615D-01 -0.174995D+01  0.116287D+01  0.842758D+00
               206           207           208           209           210 
      1   0.437723D+00  0.842758D+00  0.249848D+00 -0.106558D+01  0.348726D+00
      2  -0.142034D+01  0.916480D+00 -0.106558D+01  0.292656D-01 -0.721927D-01
      3   0.916480D+00 -0.493146D+00  0.348726D+00 -0.721927D-01  0.168645D+00
               211           212           213           214           215 
      1  -0.228996D+01 -0.385861D+00 -0.826660D-01  0.665285D+00 -0.616351D-01
      2  -0.385861D+00 -0.688985D+01  0.115497D+01 -0.616351D-01  0.158362D+01
      3  -0.826660D-01  0.115497D+01 -0.100724D+01 -0.300725D+00 -0.845553D+00
               216           217           218           219           220 
      1  -0.300725D+00  0.129278D+01  0.280873D+00 -0.499152D+00  0.138904D+01
      2  -0.845553D+00  0.280873D+00 -0.982069D+00  0.203607D+00  0.207204D+00
      3   0.394607D+00 -0.499152D+00  0.203607D+00 -0.670101D+00  0.370149D-01
               221           222           223           224           225 
      1   0.207204D+00  0.370149D-01 -0.218150D+01 -0.107901D+01  0.778170D+00
      2   0.146826D+01 -0.106194D+01 -0.107901D+01 -0.253137D+01  0.254727D+01
      3  -0.106194D+01  0.139033D+01  0.778170D+00  0.254727D+01 -0.698199D+01
               226           227           228           229           230 
      1   0.104634D+02  0.300988D+01  0.785222D+00  0.124121D+01  0.103690D+01
      2   0.300988D+01  0.183187D+01  0.209472D+00  0.103690D+01  0.763429D+00
      3   0.785222D+00  0.209472D+00  0.118402D+01  0.164413D+00  0.302189D+00
               231           232           233           234           235 
      1   0.164413D+00  0.170540D+01  0.561768D+00  0.122748D+01 -0.577967D+00
      2   0.302189D+00  0.561768D+00  0.618339D+00  0.699176D+00  0.738722D+00
      3   0.312654D+00  0.122748D+01  0.699176D+00  0.189940D+00  0.107153D+01
               236           237           238           239           240 
      1   0.738722D+00  0.107153D+01  0.258224D+01 -0.456587D+00 -0.450184D+00
      2  -0.283217D+01 -0.676478D+00 -0.456587D+00  0.456993D+01  0.157407D+01
      3  -0.676478D+00 -0.123789D+01 -0.450184D+00  0.157407D+01  0.168735D+01
               241           242           243 
      1   0.160925D+01 -0.150672D+00 -0.475559D+00
      2  -0.150672D+00  0.270928D+01  0.205895D+01
      3  -0.475559D+00  0.205895D+01  0.163178D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.126301D+01 -0.116763D+02  0.179874D+01 -0.120165D+02 -0.307684D+01
      2   0.863361D+01  0.107595D+01  0.516420D+01 -0.911372D+00  0.131189D+02
      3  -0.238690D+01 -0.113473D+02 -0.105256D+01 -0.684974D+01 -0.838462D+01
                 6             7             8             9            10 
      1  -0.915201D+01  0.223015D+01 -0.238267D+01  0.320299D+01 -0.105352D+02
      2  -0.799832D+01 -0.257396D+01 -0.606624D+01 -0.805652D+01 -0.316072D+02
      3  -0.609990D+00  0.198020D+01  0.205298D+00  0.457543D+01  0.404610D+01
                11            12            13            14            15 
      1   0.626007D+01  0.280374D+01  0.585386D+01 -0.587759D+00 -0.359528D+01
      2   0.822749D+01  0.130531D+02  0.201962D+02 -0.762546D+01  0.256123D+01
      3   0.759851D+01 -0.225692D+01  0.126615D+02  0.156790D+02  0.196283D+01
                16            17            18            19            20 
      1   0.608211D+01  0.572798D+01  0.112683D+01  0.132263D+02 -0.439854D+01
      2   0.192088D+02  0.135880D+01  0.461086D+01  0.305318D+02 -0.597685D+01
      3  -0.392185D+01  0.107692D+01 -0.437370D+01 -0.542373D+01 -0.432293D+01
                21            22            23            24            25 
      1  -0.326019D+01 -0.642467D+01 -0.570688D+01 -0.450567D+00 -0.925244D+01
      2   0.754719D+00 -0.166879D+02  0.518330D+01  0.460868D+01 -0.215484D+02
      3  -0.859694D+00  0.881391D+01 -0.170574D+01 -0.889398D+00 -0.287679D+01
                26            27            28            29            30 
      1   0.462909D+01  0.297989D+01 -0.125052D+02  0.173808D+01  0.164059D+01
      2   0.414498D+01  0.288161D+01 -0.321018D+02  0.233157D+01 -0.806643D+01
      3  -0.140340D+01 -0.201256D+01  0.749977D+01  0.326447D+01  0.256177D+01
                31            32            33            34            35 
      1   0.377775D+01  0.285003D+01 -0.243614D+01  0.567472D+01  0.295437D+01
      2   0.953158D+01 -0.310986D+01  0.216194D+01 -0.459032D+02  0.328749D+01
      3   0.190826D+02 -0.167513D+01  0.845968D+00  0.873994D+01  0.197187D+01
                36            37            38            39            40 
      1  -0.699723D+00  0.981477D+01 -0.167930D+01 -0.360372D+01 -0.911215D+01
      2  -0.104546D+02  0.392445D+02 -0.346386D+01  0.132176D+02 -0.702954D+01
      3   0.104535D+01  0.218084D+01 -0.661335D+01 -0.217182D+01  0.104902D+02
                41            42            43            44            45 
      1   0.425273D+00 -0.212287D+01 -0.761719D+01  0.776125D+00 -0.140378D+01
      2  -0.128408D+01  0.252594D+00  0.148738D+02 -0.556259D+00  0.739585D+01
      3  -0.126249D+02  0.519528D+01 -0.603348D+01  0.322069D+01  0.244328D+00
                46            47            48            49            50 
      1  -0.900914D+01 -0.135510D+01  0.104100D+02 -0.849771D+00  0.670523D+01
      2  -0.233286D+02  0.442718D+01 -0.191250D+02  0.385148D+01 -0.901937D-01
      3  -0.108777D+02  0.105934D+02  0.283585D+01  0.198177D+02  0.103210D+02
                51            52            53            54            55 
      1   0.378227D+01  0.348208D+01  0.162086D+02 -0.295112D+01  0.523942D+01
      2   0.351533D+01 -0.277698D+02 -0.172079D+01 -0.827138D+01  0.196174D+02
      3   0.625152D+00  0.608039D+00  0.376170D+01 -0.151626D+01  0.455219D+01
                56            57            58            59            60 
      1   0.147625D+01 -0.254024D+01 -0.213527D+01 -0.228180D+01 -0.448032D+01
      2  -0.385074D+01  0.187010D+02 -0.133735D+02  0.527837D+01 -0.119147D+02
      3  -0.175157D+02 -0.223838D+00 -0.732258D+01  0.154203D+02 -0.251235D+01
                61            62            63            64            65 
      1   0.326613D+01 -0.969641D+00  0.196516D+01  0.667546D+01 -0.439995D+01
      2   0.159450D+02 -0.547861D+01  0.142375D+02  0.108509D+02 -0.114715D+02
      3   0.103165D+00 -0.622770D+01  0.487254D+01  0.820899D+00 -0.207645D+02
                66            67            68            69            70 
      1  -0.819286D+01 -0.400381D+01  0.403247D+01 -0.413174D+01 -0.125062D+02
      2  -0.910939D+01 -0.102249D+02  0.347712D+00 -0.347987D+01 -0.182446D+02
      3   0.608348D+01 -0.770332D+01 -0.206436D+02  0.411820D+01  0.435712D+01
                71            72            73            74            75 
      1   0.241865D+01 -0.100064D+02  0.372874D+01 -0.380948D+01  0.393692D+01
      2   0.916902D+00 -0.128007D+02 -0.146123D+01  0.209809D+01 -0.978510D+01
      3   0.376596D+01  0.941035D+01  0.791649D+01 -0.186485D+02 -0.804859D+01
                76            77            78            79            80 
      1  -0.179687D+01 -0.335783D+01  0.362297D+00  0.799473D+01  0.597115D+01
      2   0.545017D+01  0.251218D+01 -0.540922D+01 -0.250703D+02 -0.916197D+01
      3  -0.839781D+01 -0.161206D+02  0.101025D+00 -0.806724D+01  0.125010D+01
                81            82            83            84            85 
      1  -0.161743D+01 -0.376733D+01  0.727219D+01 -0.262031D+01  0.999446D+01
      2   0.570954D+01  0.491685D+01 -0.324769D+01  0.230580D+01 -0.639852D+01
      3   0.203478D+01 -0.107494D+02  0.885731D+00  0.896374D+01  0.925621D+01
                86            87            88            89            90 
      1   0.100371D+02  0.148948D+01 -0.147720D+01  0.968362D+01 -0.142792D+01
      2  -0.419302D+01 -0.113483D+01 -0.177379D+01 -0.611781D+00  0.318096D+00
      3   0.691252D+01 -0.103677D+01  0.115540D+02 -0.854904D+00  0.730852D+01
                91            92            93            94            95 
      1   0.307384D+01 -0.300040D+01 -0.624177D+01  0.337368D+00  0.308405D+01
      2  -0.101869D+02 -0.465508D+00  0.918241D+01  0.226887D+00 -0.393675D+01
      3  -0.159002D+01 -0.223919D+02 -0.348001D+01 -0.100942D+02 -0.824958D+00
                96            97            98            99           100 
      1  -0.146662D-01  0.498879D+01  0.123092D+02 -0.770532D+01 -0.354530D+01
      2  -0.500686D+01 -0.377643D+01 -0.112612D+02  0.143734D+02  0.862429D+01
      3   0.566651D+01 -0.244525D+01  0.706066D+01  0.133371D+02  0.383631D+01
               101           102           103           104           105 
      1   0.466854D+00 -0.348535D+01 -0.280213D+00 -0.481385D+00 -0.138708D+01
      2   0.121767D+01  0.967730D+01  0.999707D+00  0.127431D+01  0.131641D+01
      3  -0.394673D+01  0.204219D+01  0.312546D-02  0.759812D+00 -0.134570D+01
               106           107           108           109           110 
      1  -0.385611D+01  0.531283D+00 -0.402232D+01  0.210236D+01  0.901374D-01
      2   0.734137D+01  0.289131D+01  0.962656D+01 -0.316268D+01 -0.251053D+01
      3   0.367832D+01 -0.504829D+01  0.694862D+00  0.356300D+00 -0.229553D+01
               111           112           113           114           115 
      1  -0.294661D+01  0.181920D+01  0.954250D+00 -0.266220D+01 -0.464561D+01
      2   0.772511D+01 -0.168613D+01 -0.438790D+01  0.461516D+01  0.108446D+02
      3   0.468231D+00 -0.628634D+00 -0.277025D+01  0.247406D+01  0.641034D+00
               116           117           118           119           120 
      1   0.947443D+00  0.749455D+01 -0.116215D+01  0.141606D+01 -0.223383D+00
      2   0.663447D+01 -0.177349D+02 -0.447504D+01  0.122513D+01  0.138007D+01
      3   0.690939D+01 -0.181112D+01  0.118561D+01 -0.201458D+01  0.736149D+00
               121           122           123           124           125 
      1   0.278111D+01  0.190101D+00  0.441014D+00  0.235999D+01  0.424026D+01
      2   0.563962D+01 -0.782912D+00 -0.858780D+00 -0.279868D+01 -0.966446D+00
      3   0.137901D+01 -0.242810D+00 -0.570882D+00  0.123560D+01 -0.162139D+01
               126           127           128           129           130 
      1  -0.265273D+01  0.268645D+01 -0.204097D+01  0.412393D+01 -0.161262D+01
      2   0.457439D+01 -0.248794D+01  0.856616D+00 -0.401883D+00  0.121845D+01
      3   0.142328D+01 -0.817048D+01  0.141855D+01 -0.454021D+01  0.366806D+01
               131           132           133           134           135 
      1   0.196267D+01 -0.399823D+01  0.284659D+01 -0.255201D+01  0.881692D+01
      2  -0.120987D+01  0.934113D+00 -0.339320D+01  0.209877D+01 -0.275590D+01
      3  -0.543753D+01  0.291983D+01 -0.766487D+01  0.465528D+01 -0.636621D+01
               136           137           138           139           140 
      1  -0.291629D+00 -0.769805D+00  0.209999D+00  0.374065D+00 -0.367053D+01
      2  -0.251986D+00  0.759613D-02  0.604591D+00 -0.655105D+00  0.327097D+01
      3  -0.129464D+01  0.418984D+00  0.206718D+00  0.431983D+01 -0.108074D+02
               141           142           143           144           145 
      1  -0.672055D+01  0.397742D+00 -0.416454D+01 -0.713237D+01  0.407697D+01
      2   0.238743D+01 -0.222149D+01  0.364840D+01  0.361576D+01 -0.790791D+01
      3  -0.476226D+01  0.240673D+01 -0.641928D+01 -0.596312D+01  0.860199D+01
               146           147           148           149           150 
      1   0.593996D+01 -0.129752D+01  0.513402D+01  0.933951D+01 -0.165382D+01
      2  -0.541230D+01 -0.128257D+01 -0.627389D+01 -0.869448D+01 -0.169964D+01
      3   0.578783D+01  0.134820D+01  0.917080D+01  0.109877D+02  0.295413D+01
               151           152           153           154           155 
      1  -0.100798D+01  0.958914D+00  0.121022D+01 -0.409923D+01  0.576034D+01
      2  -0.143856D+01 -0.778302D+00 -0.959147D+00 -0.886179D+01  0.390784D+01
      3  -0.120078D+01 -0.301263D+00  0.145675D+01 -0.561220D+00  0.465589D+00
               156           157           158           159           160 
      1  -0.220346D+01  0.493950D+01 -0.846812D+01  0.270243D+01 -0.218356D+01
      2  -0.369298D+01  0.623105D+01 -0.617588D+01  0.565746D+01 -0.493216D+01
      3   0.652285D-01  0.281009D+01 -0.110396D+01  0.111142D+01 -0.553677D+00
               161           162           163           164           165 
      1   0.488129D+01 -0.402194D+01 -0.103399D+01 -0.188096D+01  0.229026D+01
      2   0.373625D+01 -0.529368D+01  0.317137D+01  0.365956D+00  0.402320D+01
      3   0.181203D+00 -0.116080D+01 -0.201111D+01 -0.271195D+01  0.319613D+00
               166           167           168           169           170 
      1  -0.296643D+00  0.115670D+01  0.186349D+00  0.106723D+01  0.266624D+01
      2  -0.125797D+01 -0.168557D+01  0.441907D-01 -0.362148D+01 -0.438319D-01
      3   0.429362D+00  0.207599D+01  0.143947D+01  0.190258D+01  0.170727D+01
               171           172           173           174           175 
      1  -0.278819D+01  0.279246D+01  0.120885D+01  0.440049D+01  0.870708D+00
      2  -0.322792D+01  0.307588D+01  0.650564D+00  0.686222D+01  0.113732D+01
      3  -0.761151D+00 -0.257992D+01 -0.793570D+00 -0.340256D+01  0.110123D+00
               176           177           178           179           180 
      1   0.243863D+01  0.203139D+01  0.537713D+01  0.424523D+01  0.122962D+02
      2   0.233928D+01  0.426296D+01  0.547181D+01  0.698175D-01  0.199566D+02
      3  -0.148872D+01 -0.329311D+01 -0.353551D+01 -0.544789D+01 -0.496057D+01
               181           182           183           184           185 
      1  -0.108516D+01 -0.481467D+00 -0.186934D+01 -0.447028D+00 -0.259970D+01
      2   0.121406D+01  0.326078D+01 -0.570681D+00  0.218039D+01  0.438384D+01
      3   0.945154D+01  0.141700D+02 -0.257472D+01  0.925411D+01  0.273772D+02
               186           187           188           189           190 
      1  -0.392625D+01  0.314987D+00 -0.716849D-01  0.132582D+01 -0.593984D+01
      2  -0.247266D+01 -0.426821D+00 -0.316722D+01  0.215425D+01 -0.100642D+02
      3  -0.455056D+01 -0.165953D+01 -0.317092D+01  0.310370D+01 -0.384679D+01
               191           192           193           194           195 
      1   0.242457D+01  0.512025D+01  0.256151D+01 -0.210123D+01 -0.214994D+01
      2   0.484585D+01  0.100158D+02  0.392142D+01 -0.314077D+01 -0.232957D+01
      3  -0.331578D+01  0.785593D+00 -0.351111D+00  0.452007D+01  0.307141D+00
               196           197           198           199           200 
      1   0.517458D+01 -0.100685D+01 -0.371703D+01  0.518173D+00 -0.122352D+01
      2   0.862132D+01 -0.358400D+01 -0.731219D+01 -0.676062D+00  0.135262D+01
      3   0.640702D+00  0.381810D+01 -0.116341D+01  0.142983D+00 -0.692067D-01
               201           202           203           204           205 
      1  -0.569451D+00 -0.244025D+01 -0.551481D+01 -0.169733D+01 -0.606480D+01
      2  -0.348728D+00  0.233767D+01  0.110394D+01  0.591006D+00 -0.272602D+01
      3   0.500178D-01  0.315295D+01 -0.270994D+01  0.187122D+00 -0.142864D+01
               206           207           208           209           210 
      1   0.215681D+01 -0.927583D+00  0.820195D+00  0.133527D-01 -0.178912D+00
      2   0.119022D+00  0.674962D+00  0.239024D+01 -0.357079D+00  0.491603D+00
      3   0.474907D+00 -0.974870D+00  0.382113D+01  0.256585D+00 -0.879349D-01
               211           212           213           214           215 
      1  -0.260754D+00  0.772050D+00 -0.357334D+01 -0.173195D+01  0.268317D+00
      2  -0.454921D+00  0.339017D+01 -0.208635D+01 -0.432494D+01 -0.216375D+01
      3   0.601666D+01  0.145225D+02 -0.267417D+01 -0.228990D+01 -0.328637D+01
               216           217           218           219           220 
      1   0.559965D+00 -0.428122D+00 -0.608828D+00  0.167834D+01 -0.128600D+01
      2   0.600734D+00 -0.123663D+01  0.964717D+00 -0.213451D+01  0.201863D+01
      3   0.181962D+01 -0.607509D+00  0.314763D+01 -0.192190D+01  0.704213D+00
               221           222           223           224           225 
      1   0.132014D+01 -0.292929D+01 -0.252536D+01 -0.388887D+01  0.130423D+02
      2  -0.350809D+01  0.463317D+01  0.114258D+01  0.931943D+01 -0.242758D+02
      3  -0.532525D+01  0.351616D+01  0.192346D-02  0.705693D+01 -0.939172D+01
               226           227           228           229           230 
      1  -0.224987D+01 -0.540507D+00 -0.232428D+01 -0.659970D+00 -0.639317D+00
      2   0.570294D+01  0.161937D+01  0.679944D+01  0.124299D+01  0.140372D+01
      3   0.413637D+01 -0.526531D+01  0.643713D+00  0.928607D+00 -0.107348D+01
               231           232           233           234           235 
      1  -0.147241D+01 -0.117478D+01 -0.116874D+00 -0.347926D+00 -0.366003D+00
      2   0.160596D+01  0.342753D+01  0.220950D+01  0.117775D+01  0.332256D+01
      3  -0.886909D+00  0.343566D+00 -0.205769D+01 -0.134858D+01 -0.564282D+01
               236           237           238           239           240 
      1   0.379841D+01  0.314417D+01  0.169252D+01 -0.514955D+01 -0.454890D+01
      2  -0.331144D+01 -0.333320D+01 -0.122996D+01  0.621811D+01  0.524319D+01
      3   0.122565D+02  0.514240D+01  0.632032D+01 -0.184466D+02 -0.680680D+01
               241           242           243 
      1  -0.200999D-01 -0.466830D+01 -0.423125D+01
      2  -0.137511D+01  0.793466D+01  0.574938D+01
      3   0.348459D+01 -0.112772D+02 -0.952260D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.771840D+01  0.766466D+01  0.938038D+01  0.399883D+01  0.207451D+02
      2   0.537261D+01 -0.206237D+02 -0.127062D+02 -0.159931D+02 -0.116502D+02
      3  -0.130910D+02  0.129590D+02  0.332581D+01  0.119943D+02 -0.909490D+01
      4   0.853561D+01  0.676429D+01 -0.137688D+02  0.923654D+01 -0.266134D+01
      5   0.234683D+02 -0.136796D+02 -0.272010D+02 -0.142566D+02 -0.169636D+01
      6  -0.942457D+01 -0.717528D+01  0.122913D+02 -0.737498D+01 -0.734398D+01
                 6             7             8             9            10 
      1  -0.979786D+01  0.368987D+01 -0.122808D+02 -0.195664D+02 -0.667671D+01
      2  -0.453937D+00 -0.885406D+01  0.155131D+01  0.100900D+02  0.128858D+01
      3   0.102518D+02  0.516419D+01  0.107295D+02  0.947634D+01  0.538814D+01
      4   0.912756D+01 -0.160876D+02  0.752162D+01  0.410880D+01 -0.167043D+02
      5   0.720445D-01 -0.268152D+02  0.608133D+01  0.773082D+01 -0.141433D+02
      6  -0.361754D+01  0.122475D+02 -0.359434D+01  0.644242D+01  0.108406D+02
                11            12            13            14            15 
      1  -0.110645D+02 -0.142267D+01 -0.535399D+00 -0.309772D+02  0.996979D+01
      2   0.153480D+02  0.154820D+01  0.265431D+01  0.153795D+02 -0.194369D+01
      3  -0.428351D+01 -0.125536D+00 -0.211892D+01  0.155977D+02 -0.802611D+01
      4  -0.132201D+02  0.134068D+02 -0.223490D+02 -0.182618D+02 -0.782644D+01
      5   0.128739D+02  0.177486D+02  0.165269D+02 -0.308607D+01  0.685046D+01
      6  -0.949698D+01 -0.287993D+01 -0.303757D+01  0.128937D+02 -0.952825D+00
                16            17            18            19            20 
      1  -0.683330D+00  0.167307D+02  0.177357D+02  0.459001D+02  0.102517D+02
      2  -0.762153D+01 -0.552965D+01 -0.129234D+02 -0.209908D+02 -0.118450D+02
      3   0.830486D+01 -0.112011D+02 -0.481230D+01 -0.249093D+02  0.159330D+01
      4   0.200983D+02 -0.174372D+02  0.166379D+01  0.145488D+02 -0.862832D+01
      5   0.269082D+02  0.166453D+01  0.107075D+02 -0.681764D+01 -0.299908D+01
      6  -0.444792D+01 -0.943392D+00 -0.920090D+01 -0.106125D+02 -0.941974D+00
                21            22            23            24            25 
      1   0.485714D+01  0.866254D+00  0.302871D+01 -0.341654D+01  0.224122D+02
      2   0.162863D+01 -0.271416D+01 -0.599839D+01  0.129984D+01  0.860181D+01
      3  -0.648577D+01  0.184791D+01  0.296968D+01  0.211670D+01 -0.310140D+02
      4  -0.522845D+01 -0.469652D+01 -0.142057D+01  0.442843D+01 -0.138828D+02
      5  -0.811757D+01 -0.717623D+01  0.109119D+01  0.563041D+01 -0.187994D+02
      6   0.107302D+01 -0.112653D+01 -0.445390D+01  0.247169D+01 -0.135210D+01
                26            27            28            29            30 
      1  -0.986656D+01  0.119693D+02 -0.121396D+03  0.891657D+01 -0.125405D+02
      2   0.601114D+01  0.143243D+02  0.512525D+02 -0.581723D+01  0.455109D+01
      3   0.385542D+01 -0.262936D+02  0.701439D+02 -0.309934D+01  0.798943D+01
      4   0.124553D+02  0.218740D+01  0.149208D+02 -0.104708D+02  0.734736D+00
      5   0.526657D+01 -0.162773D+02 -0.109608D+00 -0.125660D+01 -0.108083D+02
      6   0.420149D+01  0.131736D+01  0.957082D+01  0.327008D+01  0.183160D+01
                31            32            33            34            35 
      1   0.482135D+02 -0.633042D+01  0.210783D+01 -0.437557D+02 -0.210862D+01
      2  -0.236189D+02  0.270891D+01  0.920502D+00  0.137551D+02  0.302899D+01
      3  -0.245946D+02  0.362151D+01 -0.302833D+01  0.300007D+02 -0.920368D+00
      4  -0.144876D+02 -0.257140D+01  0.799732D+00  0.607053D+01 -0.472092D+01
      5   0.690487D+01  0.209413D+01  0.260275D+01 -0.760364D+01  0.344322D+00
      6   0.107022D+01  0.876965D+01 -0.953422D+00  0.124284D+01  0.359265D+01
                36            37            38            39            40 
      1  -0.296511D+02  0.161020D+03 -0.255734D+02  0.286788D+02 -0.243624D+02
      2  -0.247233D+00 -0.704990D+02  0.126316D+02 -0.992243D+01  0.838314D+01
      3   0.298984D+02 -0.905215D+02  0.129419D+02 -0.187564D+02  0.159792D+02
      4   0.419253D+01 -0.460908D+02  0.144054D+02 -0.510139D+01  0.169859D+02
      5  -0.137062D+02  0.210502D+02 -0.158731D+01  0.198662D+02  0.260291D+01
      6   0.362079D+01 -0.103822D+02 -0.206746D+01 -0.217571D+01 -0.945761D+00
                41            42            43            44            45 
      1   0.130569D+02 -0.878521D+01  0.407310D+02 -0.973401D+01  0.719129D+01
      2  -0.117488D+02  0.309226D+01 -0.187152D+02  0.801966D+01 -0.681693D+01
      3  -0.130811D+01  0.569295D+01 -0.220158D+02  0.171435D+01 -0.374361D+00
      4   0.139539D+02 -0.539526D+01 -0.659015D+01 -0.660715D+01 -0.605261D+01
      5  -0.706702D+01 -0.304139D+01  0.273692D+02 -0.633416D+01  0.628241D+01
      6   0.426197D+01  0.435667D+01 -0.857360D+01  0.577073D+01  0.884415D+00
                46            47            48            49            50 
      1  -0.142821D+03  0.412285D+02 -0.247308D+02  0.616890D+02 -0.247506D+02
      2   0.648284D+02 -0.197050D+02  0.134705D+02 -0.377230D+02  0.311924D+01
      3   0.779923D+02 -0.215235D+02  0.112603D+02 -0.239660D+02  0.216314D+02
      4   0.705975D+02 -0.349452D+02  0.164196D+02 -0.414345D+02 -0.226000D+02
      5  -0.395457D+02  0.125469D+02 -0.243269D+02  0.251582D+02  0.130427D+01
      6   0.167885D+02 -0.589596D+01  0.115823D+01  0.234147D+00  0.526504D+01
                51            52            53            54            55 
      1   0.155065D+02 -0.519959D+02  0.140961D+02 -0.141358D+02  0.167940D+03
      2  -0.118104D+02  0.251185D+02 -0.317434D+01  0.272445D+01 -0.818676D+02
      3  -0.369620D+01  0.268774D+02 -0.109218D+02  0.114113D+02 -0.860724D+02
      4   0.126878D+01  0.310013D+02 -0.153774D+00  0.766180D+01 -0.698060D+02
      5   0.306751D+01 -0.635495D+01  0.570035D+01 -0.116523D+02  0.356725D+02
      6  -0.732471D+01  0.808945D+00  0.261693D+01  0.434693D+01 -0.907092D+01
                56            57            58            59            60 
      1  -0.411359D+02  0.258388D+02 -0.102004D+03  0.302611D+02 -0.141695D+02
      2   0.148493D+02 -0.155494D+02  0.420509D+02 -0.220743D+01  0.810048D+01
      3   0.262866D+02 -0.102894D+02  0.599528D+02 -0.280537D+02  0.606905D+01
      4   0.405457D+02 -0.119010D+02  0.715421D+02 -0.451382D+02  0.137675D+02
      5  -0.985129D+01  0.294794D+02 -0.243669D+02  0.111440D+02 -0.162430D+02
      6   0.430688D+01 -0.594528D+01  0.976677D+01 -0.651094D+01  0.119335D+02
                61            62            63            64            65 
      1   0.493542D+02 -0.616470D+01  0.259163D+02 -0.275033D+02  0.306728D+02
      2  -0.283974D+02  0.400556D+01 -0.193678D+02  0.848936D+01 -0.277911D+02
      3  -0.209568D+02  0.215913D+01 -0.654849D+01  0.190140D+02 -0.288172D+01
      4  -0.200134D+02  0.926922D+01 -0.214239D+02  0.260855D+02  0.729412D+01
      5   0.489005D+02 -0.200294D+02  0.307697D+02  0.152732D+02 -0.170066D+02
      6  -0.996563D+01  0.110996D+02 -0.843327D+01 -0.114357D+02  0.159030D+02
                66            67            68            69            70 
      1   0.101721D+02  0.210706D+02  0.303356D+02 -0.193260D+02  0.188560D+02
      2   0.612895D+01 -0.172372D+02 -0.271185D+02  0.116725D+02  0.500297D+01
      3  -0.163011D+02 -0.383347D+01 -0.321713D+01  0.765346D+01 -0.238590D+02
      4  -0.216406D+02  0.785336D+01  0.270730D+01  0.105532D+02 -0.283432D+02
      5  -0.183069D+02 -0.186208D+02  0.831212D+01 -0.117694D+02 -0.256637D+02
      6   0.650336D+01  0.127125D+02 -0.220873D+00  0.341111D+01  0.910534D+01
                71            72            73            74            75 
      1  -0.225484D+02 -0.239123D+02 -0.192713D+01 -0.151609D+02 -0.218549D+02
      2   0.118095D+02  0.248431D+02  0.436744D+00  0.109686D+02  0.134577D+02
      3   0.107389D+02 -0.930766D+00  0.149039D+01  0.419236D+01  0.839727D+01
      4   0.161465D+02  0.292634D+01 -0.150756D+02  0.627674D+01 -0.919852D+00
      5  -0.434459D+01 -0.304012D+02 -0.984875D+01  0.362352D+01 -0.229000D+02
      6   0.379604D+01  0.735591D+01 -0.341855D+01  0.800806D+01 -0.704947D+01
                76            77            78            79            80 
      1  -0.173897D+02  0.188031D+02  0.784686D+01 -0.235339D+02  0.254158D+01
      2   0.179174D+02 -0.346523D+01 -0.555212D+01  0.137954D+02 -0.219171D+01
      3  -0.527635D+00 -0.153379D+02 -0.229474D+01  0.973849D+01 -0.349872D+00
      4   0.136677D+02  0.366562D+02  0.439704D+01  0.665947D+01  0.100463D+02
      5   0.115165D+02 -0.188491D+01 -0.120580D+02 -0.395057D+02 -0.169805D+02
      6   0.289393D+01 -0.893058D+00 -0.503265D+01 -0.141906D+02 -0.572514D+01
                81            82            83            84            85 
      1  -0.253359D+02 -0.208171D+02 -0.164643D+01  0.152266D+02  0.295414D+01
      2   0.170472D+02  0.180396D+02  0.756060D+01 -0.151609D+02  0.146092D+01
      3   0.828872D+01  0.277755D+01 -0.591417D+01 -0.657426D-01 -0.441506D+01
      4  -0.220781D+02 -0.253979D+00  0.105404D+02  0.258507D+01  0.110699D+02
      5   0.112572D+02  0.748271D+01 -0.292563D+01  0.102907D+01 -0.660180D+01
      6   0.896873D+01  0.979830D+01 -0.690392D+01  0.294737D+01 -0.429735D+01
                86            87            88            89            90 
      1   0.126800D+02  0.504190D+01  0.186729D+02  0.122839D+02  0.154240D+02
      2  -0.749118D+01 -0.941019D+01 -0.173880D+02 -0.188300D+02 -0.176998D+02
      3  -0.518885D+01  0.436829D+01 -0.128495D+01  0.654612D+01  0.227583D+01
      4  -0.498825D+01 -0.133823D+02  0.197165D+01 -0.190233D+02 -0.315278D+01
      5  -0.690746D+01 -0.288245D+01  0.397331D+01 -0.554580D+01 -0.342273D+00
      6  -0.188697D+02 -0.146231D+02  0.357638D+01 -0.206658D+02 -0.321064D+01
                91            92            93            94            95 
      1  -0.623442D+02 -0.313951D+02 -0.150207D+02 -0.113646D+02  0.203588D+02
      2   0.272092D+02  0.251186D+02  0.116035D+02  0.140458D+02 -0.306318D+01
      3   0.351350D+02  0.627645D+01  0.341717D+01 -0.268126D+01 -0.172957D+02
      4  -0.261462D+02  0.192133D+02 -0.590188D+01  0.238918D+02  0.220954D+02
      5  -0.134082D+02 -0.304414D+01  0.137021D+02 -0.287386D+01 -0.951390D+01
      6  -0.643837D+01  0.204922D+01  0.832115D+01 -0.716491D+00 -0.981829D+01
                96            97            98            99           100 
      1   0.299948D+01 -0.227502D+02  0.515514D-01  0.206632D+02  0.527135D+02
      2  -0.790954D+01  0.119373D+02 -0.108966D+02 -0.866654D+01 -0.273300D+02
      3   0.491006D+01  0.108129D+02  0.108451D+02 -0.119967D+02 -0.253836D+02
      4  -0.773361D+01 -0.745562D+01 -0.667309D+01 -0.138587D+02  0.239658D+02
      5  -0.901541D+01  0.338301D+01 -0.163649D+02  0.261287D+02  0.236776D+02
      6  -0.349235D+01  0.191808D+01 -0.121107D+02  0.138228D+02  0.549902D+01
               101           102           103           104           105 
      1   0.101112D+02  0.197488D+02  0.272726D+01  0.420285D+01 -0.811131D+00
      2  -0.319573D+01 -0.108270D+02  0.422798D+00 -0.107429D+01  0.177530D+01
      3  -0.691545D+01 -0.892183D+01 -0.315006D+01 -0.312856D+01 -0.964171D+00
      4   0.132804D+02  0.788715D+01  0.107831D+02  0.440983D+01  0.525017D+01
      5   0.380993D+01  0.190443D+02  0.141488D+01  0.526275D+01  0.289356D+01
      6   0.178037D+01  0.531597D+01  0.257132D+01  0.254817D+01  0.408512D+01
               106           107           108           109           110 
      1   0.321008D+02  0.338585D+01  0.176215D+02  0.234202D+02  0.886064D+01
      2  -0.183246D+02  0.428247D+00 -0.132303D+02 -0.133876D+02 -0.426515D+01
      3  -0.137761D+02 -0.381409D+01 -0.439122D+01 -0.100326D+02 -0.459550D+01
      4   0.147669D+02  0.109527D+02  0.121966D+02  0.182270D+02  0.108596D+02
      5   0.266812D+02  0.779972D+01  0.210819D+02 -0.173078D+02 -0.750023D+01
      6   0.769409D+01  0.477478D+01  0.633190D+01 -0.769358D+01 -0.441448D+01
               111           112           113           114           115 
      1  -0.823962D+01  0.696972D+01 -0.107341D+01 -0.117030D+01 -0.171942D+02
      2   0.555904D+01 -0.223168D+01  0.423594D+01 -0.929908D+00  0.128348D+02
      3   0.268058D+01 -0.473804D+01 -0.316253D+01  0.210021D+01  0.435933D+01
      4  -0.932553D+01  0.140310D+02  0.105013D+02 -0.111631D+02 -0.213827D+02
      5   0.183014D+02 -0.803102D+01 -0.960737D+01  0.926888D+01  0.334557D+02
      6   0.642747D+01 -0.666413D+01 -0.719638D+01  0.878788D+01  0.142485D+02
               116           117           118           119           120 
      1  -0.285620D+01  0.934584D+01 -0.307921D+01  0.508886D+00 -0.186493D+01
      2   0.169024D+00 -0.142893D+02 -0.515190D+01  0.850731D+00 -0.409780D+01
      3   0.268718D+01  0.494344D+01  0.823111D+01 -0.135962D+01  0.596274D+01
      4  -0.191576D+02  0.200564D+02  0.188250D+00  0.426406D+01  0.423102D+00
      5   0.158282D+02 -0.372330D+02  0.861532D+01 -0.939766D+00  0.127933D+02
      6   0.119274D+02 -0.178078D+02  0.633908D+00  0.138451D+01 -0.103186D-01
               121           122           123           124           125 
      1   0.743041D+01 -0.494767D+01  0.283356D+01 -0.103006D+02  0.302326D+00
      2  -0.205956D+01 -0.300439D+00  0.107681D+01 -0.615069D+01  0.338361D+01
      3  -0.537085D+01  0.524811D+01 -0.391037D+01  0.164513D+02 -0.368594D+01
      4   0.409637D+01  0.801612D+00  0.297636D+01  0.115655D+01  0.379668D+01
      5  -0.152686D+01  0.307351D+01 -0.247280D+01  0.181447D+02 -0.283285D+01
      6   0.144713D+01 -0.164772D+01  0.727721D+01  0.148526D+01  0.455649D+01
               126           127           128           129           130 
      1  -0.249429D+02 -0.267057D+01  0.779014D+01 -0.534563D+01  0.458027D+01
      2  -0.193682D+02  0.271379D+01 -0.997543D+01  0.515845D+01 -0.541302D+01
      3   0.443111D+02 -0.432214D-01  0.218529D+01  0.187177D+00  0.832747D+00
      4  -0.609968D+00 -0.492480D+01  0.575083D+00 -0.229449D+01  0.233537D+01
      5   0.240266D+02 -0.372175D+00  0.576787D+00 -0.751410D+00  0.553590D+00
      6   0.774604D+00 -0.570510D+01  0.389831D+01 -0.574644D+01  0.269662D+01
               131           132           133           134           135 
      1  -0.133120D+02  0.510448D+01 -0.926256D+01  0.979287D+01 -0.138410D+02
      2   0.158457D+02 -0.522737D+01  0.636841D+01 -0.107820D+02  0.959461D+01
      3  -0.253370D+01  0.122896D+00  0.289415D+01  0.989116D+00  0.424637D+01
      4  -0.101143D+00  0.846954D+00 -0.481352D+01 -0.864017D+00 -0.859542D+00
      5  -0.844644D+00  0.154986D+01 -0.428247D+00  0.256280D+01 -0.410174D+01
      6  -0.482979D+01  0.881181D+01 -0.464803D+01  0.115366D+02 -0.130149D+02
               136           137           138           139           140 
      1  -0.935613D+00  0.354715D+01  0.326666D+00  0.183166D+01 -0.321126D+02
      2   0.252038D+01 -0.189164D+01  0.711353D+00  0.706973D+00  0.427870D+02
      3  -0.158477D+01 -0.165551D+01 -0.103802D+01 -0.253864D+01 -0.106744D+02
      4   0.554426D+01  0.844117D+01  0.345078D+01  0.838956D+01  0.210856D+02
      5   0.895610D+00  0.331831D+01  0.392306D+01  0.251977D+01  0.908799D+01
      6   0.341693D+01  0.120402D+01 -0.873521D-01  0.176249D+01  0.275907D+02
               141           142           143           144           145 
      1  -0.153948D+02 -0.388957D+00 -0.226726D+02 -0.187638D+02 -0.768671D+01
      2   0.170630D+02  0.255079D+01  0.237323D+02  0.136268D+02  0.685262D+01
      3  -0.166819D+01 -0.216184D+01 -0.105973D+01  0.513700D+01  0.834092D+00
      4   0.980320D+01  0.496633D+01  0.154211D+02  0.965479D+01  0.248427D+01
      5   0.587199D+01  0.342223D+01  0.100083D+02  0.847143D+01  0.358451D+01
      6   0.195221D+02  0.124608D+01  0.264030D+02  0.222540D+02  0.611720D+01
               146           147           148           149           150 
      1  -0.110928D+02 -0.665361D+01 -0.902615D+01 -0.224412D+02 -0.701381D+01
      2   0.120950D+02  0.190010D+01  0.105904D+02  0.253421D+02  0.219334D+01
      3  -0.100216D+01  0.475350D+01 -0.156425D+01 -0.290086D+01  0.482047D+01
      4   0.623717D-01  0.118008D+01  0.212007D+01 -0.629230D+01 -0.256405D+01
      5   0.457426D+01  0.273103D+01  0.631552D+01  0.256004D+01 -0.217126D+01
      6   0.999299D+01  0.368150D+01  0.711595D+01  0.182143D+02  0.932327D+01
               151           152           153           154           155 
      1  -0.172979D+01 -0.710408D+00 -0.241647D+01 -0.616071D+01  0.263682D+01
      2  -0.265984D+00 -0.193917D+01  0.765474D+00 -0.188312D+01  0.334379D+01
      3   0.199577D+01  0.264958D+01  0.165099D+01  0.804383D+01 -0.598061D+01
      4   0.132767D+01  0.556006D+00 -0.421265D+00  0.274501D+01 -0.305319D+01
      5   0.303391D+01 -0.213767D+00 -0.309517D-01  0.169747D+01 -0.618225D+00
      6   0.172682D+01  0.535047D+01  0.208367D+01 -0.231397D+01  0.557141D+01
               156           157           158           159           160 
      1  -0.921054D+01  0.466023D+01 -0.951064D+01  0.105167D+02 -0.524075D+01
      2  -0.209894D+01  0.130978D+01  0.155187D+01  0.441796D+01 -0.147755D+01
      3   0.113095D+02 -0.597001D+01  0.795877D+01 -0.149347D+02  0.671830D+01
      4   0.339519D+01 -0.357045D+01  0.732665D+01 -0.477241D+01  0.335550D+01
      5   0.343003D+01 -0.154808D+01  0.131560D+00  0.408335D+01  0.537296D+01
      6  -0.284259D+01  0.413912D+01 -0.866930D+01  0.596185D+01 -0.342852D+01
               161           162           163           164           165 
      1   0.623104D+01 -0.102579D+02  0.161789D+02 -0.192887D+01 -0.391404D+01
      2   0.274396D+01 -0.687445D+01 -0.180700D+02  0.347860D+01  0.159328D+02
      3  -0.897500D+01  0.171323D+02  0.189105D+01 -0.154973D+01 -0.120187D+02
      4  -0.321438D+01  0.352634D+01 -0.139407D+02  0.102651D+02  0.106976D+02
      5  -0.495248D+00 -0.197312D+01 -0.346090D+02  0.111904D+02  0.325077D+02
      6   0.655395D+01 -0.464854D+01  0.921939D+01 -0.766992D+01 -0.102991D+02
               166           167           168           169           170 
      1  -0.109884D+01 -0.193340D+01 -0.142933D+01 -0.386841D+01 -0.115872D+01
      2   0.187085D+01  0.356328D+00 -0.506148D+00  0.130095D+02 -0.205788D+01
      3  -0.772018D+00  0.157707D+01  0.193548D+01 -0.914111D+01  0.321661D+01
      4   0.771591D+01 -0.621585D+01 -0.754971D+01  0.856893D+01 -0.622311D+01
      5   0.654947D+01 -0.766470D+01 -0.628170D+01  0.253442D+02 -0.886560D+01
      6  -0.519960D+01  0.646734D+01  0.839978D+01 -0.792933D+01  0.768147D+01
               171           172           173           174           175 
      1  -0.299400D+01  0.162741D+02 -0.268466D+01  0.980917D+01  0.490494D+01
      2  -0.170055D+02 -0.118559D+02  0.126493D+01 -0.108235D+02 -0.365575D+01
      3   0.199995D+02 -0.441827D+01  0.141973D+01  0.101428D+01 -0.124919D+01
      4  -0.893398D+01 -0.649140D+01  0.354947D+01 -0.135222D+01  0.124036D+01
      5  -0.297500D+02  0.146576D+02  0.110778D+01  0.196972D+02  0.666508D+01
      6   0.110860D+02 -0.307530D+01 -0.174509D-01 -0.589108D+01 -0.348063D+00
               176           177           178           179           180 
      1  -0.189495D+01  0.502393D+01  0.132712D+02  0.285009D+01  0.893649D+01
      2   0.203918D+00 -0.735031D+01 -0.145564D+02 -0.508057D+01 -0.246803D+02
      3   0.169103D+01  0.232638D+01  0.128526D+01  0.223048D+01  0.157438D+02
      4   0.332687D+01  0.424197D+01 -0.504224D+01  0.835603D+01 -0.529885D+01
      5   0.459966D+01  0.932409D+01  0.273028D+02 -0.112473D+01  0.472433D+02
      6   0.153558D+00  0.187181D+01 -0.847030D+01  0.528324D+01 -0.169562D+02
               181           182           183           184           185 
      1  -0.804133D+01 -0.213726D+02  0.266025D+01 -0.148227D+02 -0.350460D+02
      2   0.866877D+01  0.236153D+02 -0.288315D+01  0.110954D+02  0.476989D+02
      3  -0.627438D+00 -0.224266D+01  0.222897D+00  0.372730D+01 -0.126529D+02
      4   0.194534D+00 -0.762512D+01  0.352193D+01  0.535028D+01 -0.281446D+02
      5  -0.287191D+01  0.189842D+01 -0.911221D+00 -0.107762D+01  0.263372D+01
      6  -0.106227D+01 -0.674595D+01  0.456161D+01 -0.262475D+01 -0.125192D+02
               186           187           188           189           190 
      1   0.677487D+01 -0.146001D+00  0.649060D+01 -0.349706D+01  0.633958D+02
      2  -0.615938D+01 -0.149506D+01 -0.439167D+01  0.265358D+01 -0.248600D+02
      3  -0.615493D+00  0.164106D+01 -0.209893D+01  0.843475D+00 -0.385358D+02
      4   0.372882D+01  0.229567D+01  0.104665D+01 -0.349242D+01 -0.429836D+02
      5  -0.408959D+01  0.332398D+01 -0.357153D+01  0.439368D+01 -0.145541D+02
      6   0.854354D+01  0.771669D+00  0.839840D+01 -0.435496D+01  0.730804D+01
               191           192           193           194           195 
      1  -0.206532D+02 -0.148470D+02 -0.120679D+02  0.506114D+01  0.414101D+01
      2   0.421377D+01  0.461002D+01  0.101224D+00  0.544069D+01 -0.336086D-01
      3   0.164394D+02  0.102369D+02  0.119667D+02 -0.105018D+02 -0.410740D+01
      4   0.246039D+02  0.105884D+02  0.206411D+02 -0.173558D+02 -0.679919D+01
      5   0.585487D+01  0.151843D+02  0.461418D+01 -0.480601D+01 -0.241444D+01
      6  -0.393868D+01 -0.732422D+01 -0.373589D+01  0.197507D+01  0.352017D+01
               196           197           198           199           200 
      1  -0.286928D+02  0.970138D+01  0.128327D+02  0.854914D+00  0.160873D+01
      2   0.970892D+01 -0.352895D+00 -0.770833D+01 -0.111706D+01 -0.698168D-01
      3   0.189838D+02 -0.934849D+01 -0.512434D+01  0.262141D+00 -0.153892D+01
      4   0.237835D+02 -0.177896D+02 -0.103986D+02  0.387821D+01  0.560227D+01
      5   0.188118D+02 -0.719054D+01 -0.121377D+02 -0.141310D+01 -0.199397D+01
      6  -0.899548D+01  0.489441D+01  0.668831D+01 -0.246269D+01 -0.632350D+00
               201           202           203           204           205 
      1  -0.150479D+01  0.200210D+01 -0.128342D+02  0.587165D+01 -0.143179D+01
      2   0.609258D+00 -0.436213D+00  0.126030D+02 -0.256408D+01  0.297530D+01
      3   0.895533D+00 -0.156589D+01  0.231210D+00 -0.330758D+01 -0.154352D+01
      4  -0.114342D+01  0.501762D+01  0.886922D+01 -0.294740D+01 -0.138996D+01
      5   0.147443D+01 -0.235547D+01 -0.382658D+01  0.248537D+01  0.218879D+01
      6   0.483675D+00 -0.729663D+00 -0.109840D+02  0.634107D+01  0.222687D+01
               206           207           208           209           210 
      1   0.491802D+01 -0.109510D+01 -0.860507D+00 -0.106537D+01  0.148645D+00
      2  -0.240579D+01  0.684919D+00  0.265205D+01  0.578122D+00  0.167358D-02
      3  -0.251224D+01  0.410186D+00 -0.179155D+01  0.487251D+00 -0.150318D+00
      4  -0.104734D+01  0.577497D+00 -0.108465D+01  0.581492D+01 -0.110440D+01
      5   0.173620D+01 -0.126736D+00  0.873498D+00 -0.584794D+00  0.797982D+00
      6   0.462263D+01 -0.359783D+01 -0.507687D+00  0.126989D+01 -0.162904D+00
               211           212           213           214           215 
      1  -0.541825D+01 -0.214433D+02  0.334370D+01  0.254167D+01  0.532015D+01
      2   0.263794D+01  0.272900D+02 -0.324423D+01 -0.397093D+00 -0.552877D+01
      3   0.278031D+01 -0.584670D+01 -0.994697D-01 -0.214458D+01  0.208619D+00
      4   0.305851D+01 -0.207629D+02  0.317806D+01 -0.130149D+01  0.539763D+01
      5  -0.486637D+00  0.240905D+01 -0.229226D+01 -0.889344D+00 -0.244095D+01
      6   0.432362D+00 -0.185175D+01  0.470420D+01  0.151264D+01  0.386575D+01
               216           217           218           219           220 
      1  -0.410635D+01  0.549187D+01  0.655545D+01 -0.620882D+01  0.514837D+01
      2   0.316875D+01 -0.394010D+01 -0.485931D+01  0.207371D+01 -0.237841D+01
      3   0.937596D+00 -0.155177D+01 -0.169614D+01  0.413510D+01 -0.276997D+01
      4  -0.294662D+01  0.228166D+01 -0.331767D+01 -0.967443D+00  0.339529D+01
      5   0.175254D+01 -0.305873D+01  0.426177D+00 -0.748180D+00 -0.976395D-01
      6  -0.230535D+01 -0.222345D+01  0.131942D+01 -0.292444D+01 -0.975371D+00
               221           222           223           224           225 
      1  -0.790660D+01  0.488467D+01 -0.916520D+01  0.513794D+01 -0.171093D+02
      2   0.662536D+01 -0.385315D+01  0.509947D+01 -0.267418D+01 -0.394645D+01
      3   0.128125D+01 -0.103151D+01  0.406573D+01 -0.246376D+01  0.210557D+02
      4   0.845065D+01 -0.606027D+01 -0.108813D+02 -0.167977D+02  0.148516D+02
      5  -0.656316D+01  0.877095D+01  0.101642D+02  0.170561D+02 -0.452276D+02
      6  -0.563143D+01  0.988446D+01  0.394400D+01  0.142339D+02 -0.245471D+02
               226           227           228           229           230 
      1   0.895327D+02  0.212630D+02  0.641199D+01  0.712685D+01  0.732392D+01
      2  -0.408124D+02 -0.608600D+01 -0.282803D+01  0.782268D+00  0.283225D-01
      3  -0.487203D+02 -0.151770D+02 -0.358395D+01 -0.790912D+01 -0.735224D+01
      4   0.443084D+02  0.227848D+02  0.358853D+01  0.149307D+02  0.954399D+01
      5   0.359101D+01  0.130589D+01  0.123482D+02  0.990711D+00  0.193931D+01
      6   0.310813D+01  0.633449D+00  0.428961D+01  0.323030D-01  0.111134D+01
               231           232           233           234           235 
      1   0.493015D+00  0.132103D+02  0.311197D+01  0.784297D+01 -0.539782D+01
      2   0.911085D+00 -0.646278D+01  0.559580D-01 -0.469852D+01  0.537929D+01
      3  -0.140410D+01 -0.674755D+01 -0.316793D+01 -0.314445D+01  0.185295D-01
      4   0.235785D+01  0.757762D+01  0.526653D+01  0.690503D+01 -0.617822D+00
      5   0.229680D+01  0.128768D+02  0.551929D+01  0.254440D+01  0.449705D+01
      6   0.233429D+01  0.422062D+01  0.346236D+01  0.684265D+00  0.352601D+01
               236           237           238           239           240 
      1   0.156719D+02  0.940104D+01  0.156583D+02 -0.216779D+02 -0.896903D+01
      2  -0.160489D+02 -0.669867D+01 -0.100548D+02  0.275704D+02  0.100719D+02
      3   0.376994D+00 -0.270238D+01 -0.560356D+01 -0.589259D+01 -0.110286D+01
      4  -0.103804D+02 -0.494214D+00  0.327773D+01  0.211715D+02  0.644455D+01
      5  -0.238471D+01 -0.576646D+01 -0.331291D+01  0.782491D+01  0.996368D+01
      6  -0.469120D+01 -0.554706D+01 -0.212228D+01  0.892461D+01  0.867533D+01
               241           242           243 
      1   0.106489D+02 -0.106686D+02 -0.133340D+02
      2  -0.530284D+01  0.130725D+02  0.851952D+01
      3  -0.534602D+01 -0.240394D+01  0.481447D+01
      4   0.358394D+01  0.134769D+02  0.901849D+01
      5  -0.505327D+00  0.111527D+02  0.754648D+01
      6  -0.158835D+01  0.119193D+02  0.815059D+01
 Leave Link  716 at Thu Aug 12 20:32:53 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.174092D+03 -0.561421D+01  0.697644D+01
      2  -0.561421D+01  0.123502D+03 -0.326478D+01
      3   0.697644D+01 -0.326478D+01  0.104220D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.289587D+01 -0.176329D+01 -0.117901D+02
      2   0.462741D+02 -0.151484D+02 -0.369229D+02
      3  -0.427740D+01  0.187155D+02  0.132050D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.678793D+02 -0.153564D+02  0.372062D+02
      2  -0.170092D+02  0.183377D+02 -0.190911D+02
      3  -0.508701D+02 -0.298124D+01 -0.181151D+02
      4   0.401922D+01 -0.343208D+02 -0.347028D+02
      5   0.325537D+02 -0.332349D+02 -0.908216D+02
      6  -0.111052D+02 -0.561550D+01  0.283793D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.394572D+01 -0.196992D+01 -0.426769D+01 -0.947992D+00 -0.400603D+01
      2  -0.196992D+01 -0.387732D+01  0.226125D+01 -0.400603D+01 -0.204030D+01
      3  -0.426769D+01  0.226125D+01  0.375695D+01  0.236569D+01 -0.217462D+01
                 6             7             8             9            10 
      1   0.236569D+01 -0.314636D+01  0.277986D+01  0.351405D+01 -0.269792D+02
      2  -0.217462D+01  0.277986D+01 -0.123727D+01  0.894676D+00  0.427622D+01
      3   0.180207D+01  0.351405D+01  0.894676D+00  0.110155D+01  0.349361D+01
                11            12            13            14            15 
      1   0.427622D+01  0.349361D+01  0.149152D+02  0.208348D+01 -0.305409D+01
      2   0.280881D+01 -0.233422D+01  0.208348D+01  0.465849D+01  0.149206D+01
      3  -0.233422D+01 -0.385449D+01 -0.305409D+01  0.149206D+01 -0.107468D+01
                16            17            18            19            20 
      1   0.165356D+02 -0.406628D+01 -0.604625D+01  0.409987D+02 -0.481231D+01
      2  -0.406628D+01  0.308309D+01 -0.476259D+00 -0.481231D+01  0.322486D+01
      3  -0.604625D+01 -0.476259D+00 -0.325062D+01  0.853427D+00  0.106745D+01
                21            22            23            24            25 
      1   0.853427D+00 -0.135858D+02  0.299083D+01  0.221087D+01 -0.646848D+01
      2   0.106745D+01  0.299083D+01  0.157422D+01 -0.175139D+01  0.251241D+01
      3   0.300405D+01  0.221087D+01 -0.175139D+01 -0.246537D+01  0.679562D+01
                26            27            28            29            30 
      1   0.251241D+01  0.679562D+01 -0.556181D+02  0.481004D+01 -0.469087D+01
      2  -0.307738D+01 -0.186568D+01  0.481004D+01 -0.237109D+01 -0.241764D+00
      3  -0.186568D+01  0.551647D+01 -0.469087D+01 -0.241764D+00 -0.236464D+01
                31            32            33            34            35 
      1   0.158048D+02 -0.448606D+01  0.888688D+00 -0.154716D+02  0.496716D-01
      2  -0.448606D+01 -0.155017D+01  0.118708D+01  0.496716D-01  0.103658D+01
      3   0.888688D+00  0.118708D+01  0.189649D+01 -0.665760D+01  0.102185D+01
                36            37            38            39            40 
      1  -0.665760D+01  0.519427D+02 -0.694707D+01  0.641418D+01 -0.121378D+02
      2   0.102185D+01 -0.694707D+01  0.870061D+00 -0.342155D+00  0.371307D+01
      3  -0.488241D+01  0.641418D+01 -0.342155D+00  0.244161D+01 -0.600286D+00
                41            42            43            44            45 
      1   0.371307D+01 -0.600286D+00  0.160271D+02 -0.113118D+01  0.543271D+01
      2   0.274384D+01 -0.174763D+01 -0.113118D+01 -0.189116D+01 -0.131182D+01
      3  -0.174763D+01 -0.216347D+01  0.543271D+01 -0.131182D+01  0.261389D+01
                46            47            48            49            50 
      1  -0.380565D+02  0.758086D+01 -0.708684D+01  0.106709D+02 -0.429555D+01
      2   0.758086D+01 -0.174898D+01  0.207721D+01 -0.429555D+01 -0.346132D+01
      3  -0.708684D+01  0.207721D+01 -0.727659D+00  0.336198D+01  0.370915D+00
                51            52            53            54            55 
      1   0.336198D+01 -0.106198D+02  0.314604D+01 -0.161071D+01  0.338133D+02
      2   0.370915D+00  0.314604D+01  0.674547D+00  0.895273D+00 -0.688147D+01
      3   0.104755D+01 -0.161071D+01  0.895273D+00 -0.680272D+00  0.555910D+01
                56            57            58            59            60 
      1  -0.688147D+01  0.555910D+01 -0.243060D+02  0.727631D+01 -0.418921D+01
      2   0.266982D+01 -0.128213D+01  0.727631D+01 -0.469000D+01  0.166311D+01
      3  -0.128213D+01  0.186612D+01 -0.418921D+01  0.166311D+01 -0.172407D+01
                61            62            63            64            65 
      1   0.120807D+02 -0.197548D+01  0.614213D+01  0.712589D+01 -0.293579D+01
      2  -0.197548D+01  0.669400D+00 -0.266596D+01 -0.293579D+01 -0.345657D+01
      3   0.614213D+01 -0.266596D+01  0.360446D+01 -0.231177D+01  0.289101D+01
                66            67            68            69            70 
      1  -0.231177D+01 -0.244817D+01 -0.243467D+01  0.313453D+01 -0.503873D+01
      2   0.289101D+01 -0.243467D+01 -0.363975D+01 -0.519630D+00  0.325986D+01
      3   0.287323D+01  0.313453D+01 -0.519630D+00  0.195522D+01  0.414311D+01
                71            72            73            74            75 
      1   0.325986D+01  0.414311D+01  0.358218D+01  0.233491D+01  0.143303D+01
      2  -0.139245D+01  0.623562D+00  0.233491D+01 -0.291563D+01 -0.953840D+00
      3   0.623562D+00  0.479794D+01  0.143303D+01 -0.953840D+00  0.305640D+01
                76            77            78            79            80 
      1   0.340792D+01 -0.286162D+01 -0.196678D+01 -0.156054D+01 -0.148502D+01
      2  -0.286162D+01 -0.602800D+01 -0.441491D+00 -0.148502D+01 -0.958543D+00
      3  -0.196678D+01 -0.441491D+00  0.139626D+01  0.554271D+01  0.236038D+01
                81            82            83            84            85 
      1   0.554271D+01  0.386826D+01 -0.236136D+01 -0.222709D+01 -0.360529D+01
      2   0.236038D+01 -0.236136D+01 -0.174758D+01  0.186474D+01 -0.245540D+01
      3  -0.141923D+01 -0.222709D+01  0.186474D+01 -0.783674D+00  0.152365D+01
                86            87            88            89            90 
      1  -0.245540D+01  0.152365D+01 -0.233252D+01  0.200922D+01 -0.124576D+01
      2   0.166124D+01  0.305584D+01  0.200922D+01  0.434588D+01  0.283200D+01
      3   0.305584D+01  0.216127D+01 -0.124576D+01  0.283200D+01 -0.443011D+00
                91            92            93            94            95 
      1  -0.924773D+01 -0.205158D+01 -0.218940D+01  0.491146D+00  0.400862D+01
      2  -0.205158D+01  0.394281D+01 -0.141376D+00  0.400862D+01  0.192077D+01
      3  -0.218940D+01 -0.141376D+00  0.193775D+01 -0.158611D+00 -0.141550D+01
                96            97            98            99           100 
      1  -0.158611D+00 -0.336634D+01 -0.308159D+00  0.407524D+00 -0.659865D+01
      2  -0.141550D+01 -0.308159D+00 -0.134709D+01 -0.275104D+01 -0.172848D+01
      3  -0.187463D+01  0.407524D+00 -0.275104D+01  0.393976D+01 -0.280657D+01
               101           102           103           104           105 
      1  -0.172848D+01 -0.280657D+01 -0.236259D+00 -0.909681D+00 -0.143543D+00
      2  -0.126735D+01 -0.522522D+00 -0.909681D+00 -0.258288D+00 -0.517203D+00
      3  -0.522522D+00 -0.225669D+01 -0.143543D+00 -0.517203D+00 -0.338199D+00
               106           107           108           109           110 
      1  -0.519791D+01 -0.856603D+00 -0.323815D+01 -0.287672D+01 -0.164474D+01
      2  -0.856603D+00 -0.139815D+01 -0.110328D+01 -0.164474D+01 -0.774162D+00
      3  -0.323815D+01 -0.110328D+01 -0.278830D+01  0.190861D+01  0.875653D+00
               111           112           113           114           115 
      1   0.190861D+01 -0.707476D+00 -0.144141D+01  0.104847D+01  0.516848D+01
      2   0.875653D+00 -0.144141D+01 -0.135708D+01  0.132780D+01  0.212190D+01
      3  -0.199701D+01  0.104847D+01  0.132780D+01 -0.131065D+01 -0.433028D+01
               116           117           118           119           120 
      1   0.212190D+01 -0.433028D+01 -0.645729D+01  0.102811D+01 -0.196340D+01
      2   0.237166D+01 -0.221680D+01  0.102811D+01 -0.479261D+00  0.120390D-01
      3  -0.221680D+01  0.534690D+01 -0.196340D+01  0.120390D-01 -0.189499D+01
               121           122           123           124           125 
      1   0.507280D+01 -0.116417D+01  0.184165D+00 -0.328126D+01 -0.943730D-01
      2  -0.116417D+01  0.193297D+00 -0.992417D+00 -0.943730D-01 -0.115101D+01
      3   0.184165D+00 -0.992417D+00  0.117857D+01 -0.377497D+01  0.966074D+00
               126           127           128           129           130 
      1  -0.377497D+01  0.198733D+01 -0.229399D+00  0.963708D+00 -0.326384D+00
      2   0.966074D+00 -0.229399D+00  0.155832D+01 -0.800639D+00  0.827497D+00
      3  -0.881718D+01  0.963708D+00 -0.800639D+00  0.128086D+01 -0.540428D+00
               131           132           133           134           135 
      1   0.827497D+00 -0.540428D+00  0.173964D+01 -0.683209D+00  0.903116D+00
      2  -0.231902D+01  0.872139D+00 -0.683209D+00  0.199123D+01 -0.179411D+01
      3   0.872139D+00 -0.116305D+01  0.903116D+00 -0.179411D+01  0.291425D+01
               136           137           138           139           140 
      1  -0.985963D+00 -0.101988D+01 -0.437156D+00 -0.989876D-01 -0.445627D+00
      2  -0.101988D+01 -0.220600D+00 -0.249939D+00 -0.445627D+00 -0.739238D+01
      3  -0.437156D+00 -0.249939D+00 -0.225893D-01 -0.258231D+00 -0.348139D+01
               141           142           143           144           145 
      1  -0.258231D+00 -0.104321D+01 -0.475505D+00  0.713687D-01  0.214341D+01
      2  -0.348139D+01 -0.475505D+00 -0.511603D+01 -0.367297D+01  0.194955D+01
      3  -0.238962D+01  0.713687D-01 -0.367297D+01 -0.332028D+01  0.644253D+00
               146           147           148           149           150 
      1   0.194955D+01  0.644253D+00  0.165305D+01  0.238078D+01  0.215433D+00
      2   0.283868D+01  0.570966D+00  0.238078D+01  0.559846D+01  0.151308D+01
      3   0.570966D+00  0.773416D+00  0.215433D+00  0.151308D+01  0.149284D+01
               151           152           153           154           155 
      1  -0.284437D+00 -0.657643D-01  0.231463D+00  0.182695D+01 -0.863431D+00
      2  -0.657643D-01  0.933633D-01  0.601432D+00 -0.863431D+00  0.152311D+01
      3   0.231463D+00  0.601432D+00  0.333075D+00  0.132683D+01 -0.739422D+00
               156           157           158           159           160 
      1   0.132683D+01 -0.129991D+01  0.140677D+01 -0.936666D+00  0.904527D+00
      2  -0.739422D+00  0.140677D+01 -0.235104D+01  0.136077D+01 -0.721765D+00
      3   0.148501D+01 -0.936666D+00  0.136077D+01 -0.268362D+01  0.750869D+00
               161           162           163           164           165 
      1  -0.721765D+00  0.750869D+00 -0.569158D+01  0.169395D+01  0.394225D+01
      2   0.117691D+01 -0.122548D+01  0.169395D+01 -0.120567D+01 -0.155766D+01
      3  -0.122548D+01  0.256902D+01  0.394225D+01 -0.155766D+01 -0.447020D+01
               166           167           168           169           170 
      1   0.642765D+00 -0.733839D+00 -0.854273D+00  0.220480D+01 -0.107527D+01
      2  -0.733839D+00  0.123769D+01  0.134417D+01 -0.107527D+01  0.100935D+01
      3  -0.854273D+00  0.134417D+01  0.852956D+00 -0.320653D+01  0.130608D+01
               171           172           173           174           175 
      1  -0.320653D+01 -0.245268D+01  0.326035D+00 -0.167838D+01 -0.939050D+00
      2   0.130608D+01  0.326035D+00 -0.917082D-01 -0.196601D+00  0.504855D-01
      3   0.457356D+01 -0.167838D+01 -0.196601D+00 -0.220239D+01 -0.865566D+00
               176           177           178           179           180 
      1   0.504855D-01 -0.865566D+00 -0.240891D+01  0.196367D+00 -0.336585D+01
      2  -0.346826D+00 -0.746462D+00  0.196367D+00 -0.137072D+01  0.193623D+00
      3  -0.746462D+00 -0.151047D+01 -0.336585D+01  0.193623D+00 -0.711866D+01
               181           182           183           184           185 
      1   0.110628D+01  0.136300D+01  0.344249D-01  0.158130D+01  0.876499D+00
      2   0.136300D+01  0.391587D+01 -0.887730D+00  0.876499D+00  0.800746D+01
      3   0.344249D-01 -0.887730D+00  0.642174D+00 -0.253496D+00 -0.122916D+01
               186           187           188           189           190 
      1  -0.253496D+00  0.443274D+00 -0.488565D+00 -0.152274D+00 -0.834490D+01
      2  -0.122916D+01 -0.488565D+00 -0.565780D+00  0.108569D+01  0.364537D+01
      3   0.102610D+01 -0.152274D+00  0.108569D+01 -0.863607D+00  0.204252D+01
               191           192           193           194           195 
      1   0.364537D+01  0.204252D+01  0.164535D+01 -0.187670D+01 -0.823039D+00
      2  -0.206796D+01 -0.897332D+00 -0.187670D+01  0.214279D+01  0.610598D+00
      3  -0.897332D+00 -0.187032D+01 -0.823039D+00  0.610598D+00  0.342548D+00
               196           197           198           199           200 
      1   0.528006D+01 -0.235633D+01 -0.237841D+01 -0.459502D+00  0.147349D+01
      2  -0.235633D+01  0.209404D+01  0.926456D+00  0.147349D+01  0.824646D+00
      3  -0.237841D+01  0.926456D+00  0.153152D+01 -0.663110D+00 -0.137405D+00
               201           202           203           204           205 
      1  -0.663110D+00  0.183137D+01  0.109477D+01  0.421615D-01 -0.196262D+01
      2  -0.137405D+00  0.109477D+01  0.578416D+01 -0.174995D+01  0.437723D+00
      3  -0.117606D+00  0.421615D-01 -0.174995D+01  0.116287D+01  0.842758D+00
               206           207           208           209           210 
      1   0.437723D+00  0.842758D+00  0.249848D+00 -0.106558D+01  0.348726D+00
      2  -0.142034D+01  0.916480D+00 -0.106558D+01  0.292656D-01 -0.721927D-01
      3   0.916480D+00 -0.493146D+00  0.348726D+00 -0.721927D-01  0.168645D+00
               211           212           213           214           215 
      1  -0.228996D+01 -0.385861D+00 -0.826660D-01  0.665285D+00 -0.616351D-01
      2  -0.385861D+00 -0.688985D+01  0.115497D+01 -0.616351D-01  0.158362D+01
      3  -0.826660D-01  0.115497D+01 -0.100724D+01 -0.300725D+00 -0.845553D+00
               216           217           218           219           220 
      1  -0.300725D+00  0.129278D+01  0.280873D+00 -0.499152D+00  0.138904D+01
      2  -0.845553D+00  0.280873D+00 -0.982069D+00  0.203607D+00  0.207204D+00
      3   0.394607D+00 -0.499152D+00  0.203607D+00 -0.670101D+00  0.370149D-01
               221           222           223           224           225 
      1   0.207204D+00  0.370149D-01 -0.218150D+01 -0.107901D+01  0.778170D+00
      2   0.146826D+01 -0.106194D+01 -0.107901D+01 -0.253137D+01  0.254727D+01
      3  -0.106194D+01  0.139033D+01  0.778170D+00  0.254727D+01 -0.698199D+01
               226           227           228           229           230 
      1   0.104634D+02  0.300988D+01  0.785222D+00  0.124121D+01  0.103690D+01
      2   0.300988D+01  0.183187D+01  0.209472D+00  0.103690D+01  0.763429D+00
      3   0.785222D+00  0.209472D+00  0.118402D+01  0.164413D+00  0.302189D+00
               231           232           233           234           235 
      1   0.164413D+00  0.170540D+01  0.561768D+00  0.122748D+01 -0.577967D+00
      2   0.302189D+00  0.561768D+00  0.618339D+00  0.699176D+00  0.738722D+00
      3   0.312654D+00  0.122748D+01  0.699176D+00  0.189940D+00  0.107153D+01
               236           237           238           239           240 
      1   0.738722D+00  0.107153D+01  0.258224D+01 -0.456587D+00 -0.450184D+00
      2  -0.283217D+01 -0.676478D+00 -0.456587D+00  0.456993D+01  0.157407D+01
      3  -0.676478D+00 -0.123789D+01 -0.450184D+00  0.157407D+01  0.168735D+01
               241           242           243 
      1   0.160925D+01 -0.150672D+00 -0.475559D+00
      2  -0.150672D+00  0.270928D+01  0.205895D+01
      3  -0.475559D+00  0.205895D+01  0.163178D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.126301D+01 -0.116763D+02  0.179874D+01 -0.120165D+02 -0.307684D+01
      2   0.863361D+01  0.107595D+01  0.516420D+01 -0.911372D+00  0.131189D+02
      3  -0.238690D+01 -0.113473D+02 -0.105256D+01 -0.684974D+01 -0.838462D+01
                 6             7             8             9            10 
      1  -0.915201D+01  0.223015D+01 -0.238267D+01  0.320299D+01 -0.105352D+02
      2  -0.799832D+01 -0.257396D+01 -0.606624D+01 -0.805652D+01 -0.316072D+02
      3  -0.609990D+00  0.198020D+01  0.205298D+00  0.457543D+01  0.404610D+01
                11            12            13            14            15 
      1   0.626007D+01  0.280374D+01  0.585386D+01 -0.587759D+00 -0.359528D+01
      2   0.822749D+01  0.130531D+02  0.201962D+02 -0.762546D+01  0.256123D+01
      3   0.759851D+01 -0.225692D+01  0.126615D+02  0.156790D+02  0.196283D+01
                16            17            18            19            20 
      1   0.608211D+01  0.572798D+01  0.112683D+01  0.132263D+02 -0.439854D+01
      2   0.192088D+02  0.135880D+01  0.461086D+01  0.305318D+02 -0.597685D+01
      3  -0.392185D+01  0.107692D+01 -0.437370D+01 -0.542373D+01 -0.432293D+01
                21            22            23            24            25 
      1  -0.326019D+01 -0.642467D+01 -0.570688D+01 -0.450567D+00 -0.925244D+01
      2   0.754719D+00 -0.166879D+02  0.518330D+01  0.460868D+01 -0.215484D+02
      3  -0.859694D+00  0.881391D+01 -0.170574D+01 -0.889398D+00 -0.287679D+01
                26            27            28            29            30 
      1   0.462909D+01  0.297989D+01 -0.125052D+02  0.173808D+01  0.164059D+01
      2   0.414498D+01  0.288161D+01 -0.321018D+02  0.233157D+01 -0.806643D+01
      3  -0.140340D+01 -0.201256D+01  0.749977D+01  0.326447D+01  0.256177D+01
                31            32            33            34            35 
      1   0.377775D+01  0.285003D+01 -0.243614D+01  0.567472D+01  0.295437D+01
      2   0.953158D+01 -0.310986D+01  0.216194D+01 -0.459032D+02  0.328749D+01
      3   0.190826D+02 -0.167513D+01  0.845968D+00  0.873994D+01  0.197187D+01
                36            37            38            39            40 
      1  -0.699723D+00  0.981477D+01 -0.167930D+01 -0.360372D+01 -0.911215D+01
      2  -0.104546D+02  0.392445D+02 -0.346386D+01  0.132176D+02 -0.702954D+01
      3   0.104535D+01  0.218084D+01 -0.661335D+01 -0.217182D+01  0.104902D+02
                41            42            43            44            45 
      1   0.425273D+00 -0.212287D+01 -0.761719D+01  0.776125D+00 -0.140378D+01
      2  -0.128408D+01  0.252594D+00  0.148738D+02 -0.556259D+00  0.739585D+01
      3  -0.126249D+02  0.519528D+01 -0.603348D+01  0.322069D+01  0.244328D+00
                46            47            48            49            50 
      1  -0.900914D+01 -0.135510D+01  0.104100D+02 -0.849771D+00  0.670523D+01
      2  -0.233286D+02  0.442718D+01 -0.191250D+02  0.385148D+01 -0.901937D-01
      3  -0.108777D+02  0.105934D+02  0.283585D+01  0.198177D+02  0.103210D+02
                51            52            53            54            55 
      1   0.378227D+01  0.348208D+01  0.162086D+02 -0.295112D+01  0.523942D+01
      2   0.351533D+01 -0.277698D+02 -0.172079D+01 -0.827138D+01  0.196174D+02
      3   0.625152D+00  0.608039D+00  0.376170D+01 -0.151626D+01  0.455219D+01
                56            57            58            59            60 
      1   0.147625D+01 -0.254024D+01 -0.213527D+01 -0.228180D+01 -0.448032D+01
      2  -0.385074D+01  0.187010D+02 -0.133735D+02  0.527837D+01 -0.119147D+02
      3  -0.175157D+02 -0.223838D+00 -0.732258D+01  0.154203D+02 -0.251235D+01
                61            62            63            64            65 
      1   0.326613D+01 -0.969641D+00  0.196516D+01  0.667546D+01 -0.439995D+01
      2   0.159450D+02 -0.547861D+01  0.142375D+02  0.108509D+02 -0.114715D+02
      3   0.103165D+00 -0.622770D+01  0.487254D+01  0.820899D+00 -0.207645D+02
                66            67            68            69            70 
      1  -0.819286D+01 -0.400381D+01  0.403247D+01 -0.413174D+01 -0.125062D+02
      2  -0.910939D+01 -0.102249D+02  0.347712D+00 -0.347987D+01 -0.182446D+02
      3   0.608348D+01 -0.770332D+01 -0.206436D+02  0.411820D+01  0.435712D+01
                71            72            73            74            75 
      1   0.241865D+01 -0.100064D+02  0.372874D+01 -0.380948D+01  0.393692D+01
      2   0.916902D+00 -0.128007D+02 -0.146123D+01  0.209809D+01 -0.978510D+01
      3   0.376596D+01  0.941035D+01  0.791649D+01 -0.186485D+02 -0.804859D+01
                76            77            78            79            80 
      1  -0.179687D+01 -0.335783D+01  0.362297D+00  0.799473D+01  0.597115D+01
      2   0.545017D+01  0.251218D+01 -0.540922D+01 -0.250703D+02 -0.916197D+01
      3  -0.839781D+01 -0.161206D+02  0.101025D+00 -0.806724D+01  0.125010D+01
                81            82            83            84            85 
      1  -0.161743D+01 -0.376733D+01  0.727219D+01 -0.262031D+01  0.999446D+01
      2   0.570954D+01  0.491685D+01 -0.324769D+01  0.230580D+01 -0.639852D+01
      3   0.203478D+01 -0.107494D+02  0.885731D+00  0.896374D+01  0.925621D+01
                86            87            88            89            90 
      1   0.100371D+02  0.148948D+01 -0.147720D+01  0.968362D+01 -0.142792D+01
      2  -0.419302D+01 -0.113483D+01 -0.177379D+01 -0.611781D+00  0.318096D+00
      3   0.691252D+01 -0.103677D+01  0.115540D+02 -0.854904D+00  0.730852D+01
                91            92            93            94            95 
      1   0.307384D+01 -0.300040D+01 -0.624177D+01  0.337368D+00  0.308405D+01
      2  -0.101869D+02 -0.465508D+00  0.918241D+01  0.226887D+00 -0.393675D+01
      3  -0.159002D+01 -0.223919D+02 -0.348001D+01 -0.100942D+02 -0.824958D+00
                96            97            98            99           100 
      1  -0.146662D-01  0.498879D+01  0.123092D+02 -0.770532D+01 -0.354530D+01
      2  -0.500686D+01 -0.377643D+01 -0.112612D+02  0.143734D+02  0.862429D+01
      3   0.566651D+01 -0.244525D+01  0.706066D+01  0.133371D+02  0.383631D+01
               101           102           103           104           105 
      1   0.466854D+00 -0.348535D+01 -0.280213D+00 -0.481385D+00 -0.138708D+01
      2   0.121767D+01  0.967730D+01  0.999707D+00  0.127431D+01  0.131641D+01
      3  -0.394673D+01  0.204219D+01  0.312546D-02  0.759812D+00 -0.134570D+01
               106           107           108           109           110 
      1  -0.385611D+01  0.531283D+00 -0.402232D+01  0.210236D+01  0.901374D-01
      2   0.734137D+01  0.289131D+01  0.962656D+01 -0.316268D+01 -0.251053D+01
      3   0.367832D+01 -0.504829D+01  0.694862D+00  0.356300D+00 -0.229553D+01
               111           112           113           114           115 
      1  -0.294661D+01  0.181920D+01  0.954250D+00 -0.266220D+01 -0.464561D+01
      2   0.772511D+01 -0.168613D+01 -0.438790D+01  0.461516D+01  0.108446D+02
      3   0.468231D+00 -0.628634D+00 -0.277025D+01  0.247406D+01  0.641034D+00
               116           117           118           119           120 
      1   0.947443D+00  0.749455D+01 -0.116215D+01  0.141606D+01 -0.223383D+00
      2   0.663447D+01 -0.177349D+02 -0.447504D+01  0.122513D+01  0.138007D+01
      3   0.690939D+01 -0.181112D+01  0.118561D+01 -0.201458D+01  0.736149D+00
               121           122           123           124           125 
      1   0.278111D+01  0.190101D+00  0.441014D+00  0.235999D+01  0.424026D+01
      2   0.563962D+01 -0.782912D+00 -0.858780D+00 -0.279868D+01 -0.966446D+00
      3   0.137901D+01 -0.242810D+00 -0.570882D+00  0.123560D+01 -0.162139D+01
               126           127           128           129           130 
      1  -0.265273D+01  0.268645D+01 -0.204097D+01  0.412393D+01 -0.161262D+01
      2   0.457439D+01 -0.248794D+01  0.856616D+00 -0.401883D+00  0.121845D+01
      3   0.142328D+01 -0.817048D+01  0.141855D+01 -0.454021D+01  0.366806D+01
               131           132           133           134           135 
      1   0.196267D+01 -0.399823D+01  0.284659D+01 -0.255201D+01  0.881692D+01
      2  -0.120987D+01  0.934113D+00 -0.339320D+01  0.209877D+01 -0.275590D+01
      3  -0.543753D+01  0.291983D+01 -0.766487D+01  0.465528D+01 -0.636621D+01
               136           137           138           139           140 
      1  -0.291629D+00 -0.769805D+00  0.209999D+00  0.374065D+00 -0.367053D+01
      2  -0.251986D+00  0.759613D-02  0.604591D+00 -0.655105D+00  0.327097D+01
      3  -0.129464D+01  0.418984D+00  0.206718D+00  0.431983D+01 -0.108074D+02
               141           142           143           144           145 
      1  -0.672055D+01  0.397742D+00 -0.416454D+01 -0.713237D+01  0.407697D+01
      2   0.238743D+01 -0.222149D+01  0.364840D+01  0.361576D+01 -0.790791D+01
      3  -0.476226D+01  0.240673D+01 -0.641928D+01 -0.596312D+01  0.860199D+01
               146           147           148           149           150 
      1   0.593996D+01 -0.129752D+01  0.513402D+01  0.933951D+01 -0.165382D+01
      2  -0.541230D+01 -0.128257D+01 -0.627389D+01 -0.869448D+01 -0.169964D+01
      3   0.578783D+01  0.134820D+01  0.917080D+01  0.109877D+02  0.295413D+01
               151           152           153           154           155 
      1  -0.100798D+01  0.958914D+00  0.121022D+01 -0.409923D+01  0.576034D+01
      2  -0.143856D+01 -0.778302D+00 -0.959147D+00 -0.886179D+01  0.390784D+01
      3  -0.120078D+01 -0.301263D+00  0.145675D+01 -0.561220D+00  0.465589D+00
               156           157           158           159           160 
      1  -0.220346D+01  0.493950D+01 -0.846812D+01  0.270243D+01 -0.218356D+01
      2  -0.369298D+01  0.623105D+01 -0.617588D+01  0.565746D+01 -0.493216D+01
      3   0.652285D-01  0.281009D+01 -0.110396D+01  0.111142D+01 -0.553677D+00
               161           162           163           164           165 
      1   0.488129D+01 -0.402194D+01 -0.103399D+01 -0.188096D+01  0.229026D+01
      2   0.373625D+01 -0.529368D+01  0.317137D+01  0.365956D+00  0.402320D+01
      3   0.181203D+00 -0.116080D+01 -0.201111D+01 -0.271195D+01  0.319613D+00
               166           167           168           169           170 
      1  -0.296643D+00  0.115670D+01  0.186349D+00  0.106723D+01  0.266624D+01
      2  -0.125797D+01 -0.168557D+01  0.441907D-01 -0.362148D+01 -0.438319D-01
      3   0.429362D+00  0.207599D+01  0.143947D+01  0.190258D+01  0.170727D+01
               171           172           173           174           175 
      1  -0.278819D+01  0.279246D+01  0.120885D+01  0.440049D+01  0.870708D+00
      2  -0.322792D+01  0.307588D+01  0.650564D+00  0.686222D+01  0.113732D+01
      3  -0.761151D+00 -0.257992D+01 -0.793570D+00 -0.340256D+01  0.110123D+00
               176           177           178           179           180 
      1   0.243863D+01  0.203139D+01  0.537713D+01  0.424523D+01  0.122962D+02
      2   0.233928D+01  0.426296D+01  0.547181D+01  0.698175D-01  0.199566D+02
      3  -0.148872D+01 -0.329311D+01 -0.353551D+01 -0.544789D+01 -0.496057D+01
               181           182           183           184           185 
      1  -0.108516D+01 -0.481467D+00 -0.186934D+01 -0.447028D+00 -0.259970D+01
      2   0.121406D+01  0.326078D+01 -0.570681D+00  0.218039D+01  0.438384D+01
      3   0.945154D+01  0.141700D+02 -0.257472D+01  0.925411D+01  0.273772D+02
               186           187           188           189           190 
      1  -0.392625D+01  0.314987D+00 -0.716849D-01  0.132582D+01 -0.593984D+01
      2  -0.247266D+01 -0.426821D+00 -0.316722D+01  0.215425D+01 -0.100642D+02
      3  -0.455056D+01 -0.165953D+01 -0.317092D+01  0.310370D+01 -0.384679D+01
               191           192           193           194           195 
      1   0.242457D+01  0.512025D+01  0.256151D+01 -0.210123D+01 -0.214994D+01
      2   0.484585D+01  0.100158D+02  0.392142D+01 -0.314077D+01 -0.232957D+01
      3  -0.331578D+01  0.785593D+00 -0.351111D+00  0.452007D+01  0.307141D+00
               196           197           198           199           200 
      1   0.517458D+01 -0.100685D+01 -0.371703D+01  0.518173D+00 -0.122352D+01
      2   0.862132D+01 -0.358400D+01 -0.731219D+01 -0.676062D+00  0.135262D+01
      3   0.640702D+00  0.381810D+01 -0.116341D+01  0.142983D+00 -0.692067D-01
               201           202           203           204           205 
      1  -0.569451D+00 -0.244025D+01 -0.551481D+01 -0.169733D+01 -0.606480D+01
      2  -0.348728D+00  0.233767D+01  0.110394D+01  0.591006D+00 -0.272602D+01
      3   0.500178D-01  0.315295D+01 -0.270994D+01  0.187122D+00 -0.142864D+01
               206           207           208           209           210 
      1   0.215681D+01 -0.927583D+00  0.820195D+00  0.133527D-01 -0.178912D+00
      2   0.119022D+00  0.674962D+00  0.239024D+01 -0.357079D+00  0.491603D+00
      3   0.474907D+00 -0.974870D+00  0.382113D+01  0.256585D+00 -0.879349D-01
               211           212           213           214           215 
      1  -0.260754D+00  0.772050D+00 -0.357334D+01 -0.173195D+01  0.268317D+00
      2  -0.454921D+00  0.339017D+01 -0.208635D+01 -0.432494D+01 -0.216375D+01
      3   0.601666D+01  0.145225D+02 -0.267417D+01 -0.228990D+01 -0.328637D+01
               216           217           218           219           220 
      1   0.559965D+00 -0.428122D+00 -0.608828D+00  0.167834D+01 -0.128600D+01
      2   0.600734D+00 -0.123663D+01  0.964717D+00 -0.213451D+01  0.201863D+01
      3   0.181962D+01 -0.607509D+00  0.314763D+01 -0.192190D+01  0.704213D+00
               221           222           223           224           225 
      1   0.132014D+01 -0.292929D+01 -0.252536D+01 -0.388887D+01  0.130423D+02
      2  -0.350809D+01  0.463317D+01  0.114258D+01  0.931943D+01 -0.242758D+02
      3  -0.532525D+01  0.351616D+01  0.192346D-02  0.705693D+01 -0.939172D+01
               226           227           228           229           230 
      1  -0.224987D+01 -0.540507D+00 -0.232428D+01 -0.659970D+00 -0.639317D+00
      2   0.570294D+01  0.161937D+01  0.679944D+01  0.124299D+01  0.140372D+01
      3   0.413637D+01 -0.526531D+01  0.643713D+00  0.928607D+00 -0.107348D+01
               231           232           233           234           235 
      1  -0.147241D+01 -0.117478D+01 -0.116874D+00 -0.347926D+00 -0.366003D+00
      2   0.160596D+01  0.342753D+01  0.220950D+01  0.117775D+01  0.332256D+01
      3  -0.886909D+00  0.343566D+00 -0.205769D+01 -0.134858D+01 -0.564282D+01
               236           237           238           239           240 
      1   0.379841D+01  0.314417D+01  0.169252D+01 -0.514955D+01 -0.454890D+01
      2  -0.331144D+01 -0.333320D+01 -0.122996D+01  0.621811D+01  0.524319D+01
      3   0.122565D+02  0.514240D+01  0.632032D+01 -0.184466D+02 -0.680680D+01
               241           242           243 
      1  -0.200999D-01 -0.466830D+01 -0.423125D+01
      2  -0.137511D+01  0.793466D+01  0.574938D+01
      3   0.348459D+01 -0.112772D+02 -0.952260D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.771840D+01  0.766466D+01  0.938038D+01  0.399883D+01  0.207451D+02
      2   0.537261D+01 -0.206237D+02 -0.127062D+02 -0.159931D+02 -0.116502D+02
      3  -0.130910D+02  0.129590D+02  0.332581D+01  0.119943D+02 -0.909490D+01
      4   0.853561D+01  0.676429D+01 -0.137688D+02  0.923654D+01 -0.266134D+01
      5   0.234683D+02 -0.136796D+02 -0.272010D+02 -0.142566D+02 -0.169636D+01
      6  -0.942457D+01 -0.717528D+01  0.122913D+02 -0.737498D+01 -0.734398D+01
                 6             7             8             9            10 
      1  -0.979786D+01  0.368987D+01 -0.122808D+02 -0.195664D+02 -0.667671D+01
      2  -0.453937D+00 -0.885406D+01  0.155131D+01  0.100900D+02  0.128858D+01
      3   0.102518D+02  0.516419D+01  0.107295D+02  0.947634D+01  0.538814D+01
      4   0.912756D+01 -0.160876D+02  0.752162D+01  0.410880D+01 -0.167043D+02
      5   0.720445D-01 -0.268152D+02  0.608133D+01  0.773082D+01 -0.141433D+02
      6  -0.361754D+01  0.122475D+02 -0.359434D+01  0.644242D+01  0.108406D+02
                11            12            13            14            15 
      1  -0.110645D+02 -0.142267D+01 -0.535399D+00 -0.309772D+02  0.996979D+01
      2   0.153480D+02  0.154820D+01  0.265431D+01  0.153795D+02 -0.194369D+01
      3  -0.428351D+01 -0.125536D+00 -0.211892D+01  0.155977D+02 -0.802611D+01
      4  -0.132201D+02  0.134068D+02 -0.223490D+02 -0.182618D+02 -0.782644D+01
      5   0.128739D+02  0.177486D+02  0.165269D+02 -0.308607D+01  0.685046D+01
      6  -0.949698D+01 -0.287993D+01 -0.303757D+01  0.128937D+02 -0.952825D+00
                16            17            18            19            20 
      1  -0.683330D+00  0.167307D+02  0.177357D+02  0.459001D+02  0.102517D+02
      2  -0.762153D+01 -0.552965D+01 -0.129234D+02 -0.209908D+02 -0.118450D+02
      3   0.830486D+01 -0.112011D+02 -0.481230D+01 -0.249093D+02  0.159330D+01
      4   0.200983D+02 -0.174372D+02  0.166379D+01  0.145488D+02 -0.862832D+01
      5   0.269082D+02  0.166453D+01  0.107075D+02 -0.681764D+01 -0.299908D+01
      6  -0.444792D+01 -0.943392D+00 -0.920090D+01 -0.106125D+02 -0.941974D+00
                21            22            23            24            25 
      1   0.485714D+01  0.866254D+00  0.302871D+01 -0.341654D+01  0.224122D+02
      2   0.162863D+01 -0.271416D+01 -0.599839D+01  0.129984D+01  0.860181D+01
      3  -0.648577D+01  0.184791D+01  0.296968D+01  0.211670D+01 -0.310140D+02
      4  -0.522845D+01 -0.469652D+01 -0.142057D+01  0.442843D+01 -0.138828D+02
      5  -0.811757D+01 -0.717623D+01  0.109119D+01  0.563041D+01 -0.187994D+02
      6   0.107302D+01 -0.112653D+01 -0.445390D+01  0.247169D+01 -0.135210D+01
                26            27            28            29            30 
      1  -0.986656D+01  0.119693D+02 -0.121396D+03  0.891657D+01 -0.125405D+02
      2   0.601114D+01  0.143243D+02  0.512525D+02 -0.581723D+01  0.455109D+01
      3   0.385542D+01 -0.262936D+02  0.701439D+02 -0.309934D+01  0.798943D+01
      4   0.124553D+02  0.218740D+01  0.149208D+02 -0.104708D+02  0.734736D+00
      5   0.526657D+01 -0.162773D+02 -0.109608D+00 -0.125660D+01 -0.108083D+02
      6   0.420149D+01  0.131736D+01  0.957082D+01  0.327008D+01  0.183160D+01
                31            32            33            34            35 
      1   0.482135D+02 -0.633042D+01  0.210783D+01 -0.437557D+02 -0.210862D+01
      2  -0.236189D+02  0.270891D+01  0.920502D+00  0.137551D+02  0.302899D+01
      3  -0.245946D+02  0.362151D+01 -0.302833D+01  0.300007D+02 -0.920368D+00
      4  -0.144876D+02 -0.257140D+01  0.799732D+00  0.607053D+01 -0.472092D+01
      5   0.690487D+01  0.209413D+01  0.260275D+01 -0.760364D+01  0.344322D+00
      6   0.107022D+01  0.876965D+01 -0.953422D+00  0.124284D+01  0.359265D+01
                36            37            38            39            40 
      1  -0.296511D+02  0.161020D+03 -0.255734D+02  0.286788D+02 -0.243624D+02
      2  -0.247233D+00 -0.704990D+02  0.126316D+02 -0.992243D+01  0.838314D+01
      3   0.298984D+02 -0.905215D+02  0.129419D+02 -0.187564D+02  0.159792D+02
      4   0.419253D+01 -0.460908D+02  0.144054D+02 -0.510139D+01  0.169859D+02
      5  -0.137062D+02  0.210502D+02 -0.158731D+01  0.198662D+02  0.260291D+01
      6   0.362079D+01 -0.103822D+02 -0.206746D+01 -0.217571D+01 -0.945761D+00
                41            42            43            44            45 
      1   0.130569D+02 -0.878521D+01  0.407310D+02 -0.973401D+01  0.719129D+01
      2  -0.117488D+02  0.309226D+01 -0.187152D+02  0.801966D+01 -0.681693D+01
      3  -0.130811D+01  0.569295D+01 -0.220158D+02  0.171435D+01 -0.374361D+00
      4   0.139539D+02 -0.539526D+01 -0.659015D+01 -0.660715D+01 -0.605261D+01
      5  -0.706702D+01 -0.304139D+01  0.273692D+02 -0.633416D+01  0.628241D+01
      6   0.426197D+01  0.435667D+01 -0.857360D+01  0.577073D+01  0.884415D+00
                46            47            48            49            50 
      1  -0.142821D+03  0.412285D+02 -0.247308D+02  0.616890D+02 -0.247506D+02
      2   0.648284D+02 -0.197050D+02  0.134705D+02 -0.377230D+02  0.311924D+01
      3   0.779923D+02 -0.215235D+02  0.112603D+02 -0.239660D+02  0.216314D+02
      4   0.705975D+02 -0.349452D+02  0.164196D+02 -0.414345D+02 -0.226000D+02
      5  -0.395457D+02  0.125469D+02 -0.243269D+02  0.251582D+02  0.130427D+01
      6   0.167885D+02 -0.589596D+01  0.115823D+01  0.234147D+00  0.526504D+01
                51            52            53            54            55 
      1   0.155065D+02 -0.519959D+02  0.140961D+02 -0.141358D+02  0.167940D+03
      2  -0.118104D+02  0.251185D+02 -0.317434D+01  0.272445D+01 -0.818676D+02
      3  -0.369620D+01  0.268774D+02 -0.109218D+02  0.114113D+02 -0.860724D+02
      4   0.126878D+01  0.310013D+02 -0.153774D+00  0.766180D+01 -0.698060D+02
      5   0.306751D+01 -0.635495D+01  0.570035D+01 -0.116523D+02  0.356725D+02
      6  -0.732471D+01  0.808945D+00  0.261693D+01  0.434693D+01 -0.907092D+01
                56            57            58            59            60 
      1  -0.411359D+02  0.258388D+02 -0.102004D+03  0.302611D+02 -0.141695D+02
      2   0.148493D+02 -0.155494D+02  0.420509D+02 -0.220743D+01  0.810048D+01
      3   0.262866D+02 -0.102894D+02  0.599528D+02 -0.280537D+02  0.606905D+01
      4   0.405457D+02 -0.119010D+02  0.715421D+02 -0.451382D+02  0.137675D+02
      5  -0.985129D+01  0.294794D+02 -0.243669D+02  0.111440D+02 -0.162430D+02
      6   0.430688D+01 -0.594528D+01  0.976677D+01 -0.651094D+01  0.119335D+02
                61            62            63            64            65 
      1   0.493542D+02 -0.616470D+01  0.259163D+02 -0.275033D+02  0.306728D+02
      2  -0.283974D+02  0.400556D+01 -0.193678D+02  0.848936D+01 -0.277911D+02
      3  -0.209568D+02  0.215913D+01 -0.654849D+01  0.190140D+02 -0.288172D+01
      4  -0.200134D+02  0.926922D+01 -0.214239D+02  0.260855D+02  0.729412D+01
      5   0.489005D+02 -0.200294D+02  0.307697D+02  0.152732D+02 -0.170066D+02
      6  -0.996563D+01  0.110996D+02 -0.843327D+01 -0.114357D+02  0.159030D+02
                66            67            68            69            70 
      1   0.101721D+02  0.210706D+02  0.303356D+02 -0.193260D+02  0.188560D+02
      2   0.612895D+01 -0.172372D+02 -0.271185D+02  0.116725D+02  0.500297D+01
      3  -0.163011D+02 -0.383347D+01 -0.321713D+01  0.765346D+01 -0.238590D+02
      4  -0.216406D+02  0.785336D+01  0.270730D+01  0.105532D+02 -0.283432D+02
      5  -0.183069D+02 -0.186208D+02  0.831212D+01 -0.117694D+02 -0.256637D+02
      6   0.650336D+01  0.127125D+02 -0.220873D+00  0.341111D+01  0.910534D+01
                71            72            73            74            75 
      1  -0.225484D+02 -0.239123D+02 -0.192713D+01 -0.151609D+02 -0.218549D+02
      2   0.118095D+02  0.248431D+02  0.436744D+00  0.109686D+02  0.134577D+02
      3   0.107389D+02 -0.930766D+00  0.149039D+01  0.419236D+01  0.839727D+01
      4   0.161465D+02  0.292634D+01 -0.150756D+02  0.627674D+01 -0.919852D+00
      5  -0.434459D+01 -0.304012D+02 -0.984875D+01  0.362352D+01 -0.229000D+02
      6   0.379604D+01  0.735591D+01 -0.341855D+01  0.800806D+01 -0.704947D+01
                76            77            78            79            80 
      1  -0.173897D+02  0.188031D+02  0.784686D+01 -0.235339D+02  0.254158D+01
      2   0.179174D+02 -0.346523D+01 -0.555212D+01  0.137954D+02 -0.219171D+01
      3  -0.527635D+00 -0.153379D+02 -0.229474D+01  0.973849D+01 -0.349872D+00
      4   0.136677D+02  0.366562D+02  0.439704D+01  0.665947D+01  0.100463D+02
      5   0.115165D+02 -0.188491D+01 -0.120580D+02 -0.395057D+02 -0.169805D+02
      6   0.289393D+01 -0.893058D+00 -0.503265D+01 -0.141906D+02 -0.572514D+01
                81            82            83            84            85 
      1  -0.253359D+02 -0.208171D+02 -0.164643D+01  0.152266D+02  0.295414D+01
      2   0.170472D+02  0.180396D+02  0.756060D+01 -0.151609D+02  0.146092D+01
      3   0.828872D+01  0.277755D+01 -0.591417D+01 -0.657426D-01 -0.441506D+01
      4  -0.220781D+02 -0.253979D+00  0.105404D+02  0.258507D+01  0.110699D+02
      5   0.112572D+02  0.748271D+01 -0.292563D+01  0.102907D+01 -0.660180D+01
      6   0.896873D+01  0.979830D+01 -0.690392D+01  0.294737D+01 -0.429735D+01
                86            87            88            89            90 
      1   0.126800D+02  0.504190D+01  0.186729D+02  0.122839D+02  0.154240D+02
      2  -0.749118D+01 -0.941019D+01 -0.173880D+02 -0.188300D+02 -0.176998D+02
      3  -0.518885D+01  0.436829D+01 -0.128495D+01  0.654612D+01  0.227583D+01
      4  -0.498825D+01 -0.133823D+02  0.197165D+01 -0.190233D+02 -0.315278D+01
      5  -0.690746D+01 -0.288245D+01  0.397331D+01 -0.554580D+01 -0.342273D+00
      6  -0.188697D+02 -0.146231D+02  0.357638D+01 -0.206658D+02 -0.321064D+01
                91            92            93            94            95 
      1  -0.623442D+02 -0.313951D+02 -0.150207D+02 -0.113646D+02  0.203588D+02
      2   0.272092D+02  0.251186D+02  0.116035D+02  0.140458D+02 -0.306318D+01
      3   0.351350D+02  0.627645D+01  0.341717D+01 -0.268126D+01 -0.172957D+02
      4  -0.261462D+02  0.192133D+02 -0.590188D+01  0.238918D+02  0.220954D+02
      5  -0.134082D+02 -0.304414D+01  0.137021D+02 -0.287386D+01 -0.951390D+01
      6  -0.643837D+01  0.204922D+01  0.832115D+01 -0.716491D+00 -0.981829D+01
                96            97            98            99           100 
      1   0.299948D+01 -0.227502D+02  0.515514D-01  0.206632D+02  0.527135D+02
      2  -0.790954D+01  0.119373D+02 -0.108966D+02 -0.866654D+01 -0.273300D+02
      3   0.491006D+01  0.108129D+02  0.108451D+02 -0.119967D+02 -0.253836D+02
      4  -0.773361D+01 -0.745562D+01 -0.667309D+01 -0.138587D+02  0.239658D+02
      5  -0.901541D+01  0.338301D+01 -0.163649D+02  0.261287D+02  0.236776D+02
      6  -0.349235D+01  0.191808D+01 -0.121107D+02  0.138228D+02  0.549902D+01
               101           102           103           104           105 
      1   0.101112D+02  0.197488D+02  0.272726D+01  0.420285D+01 -0.811131D+00
      2  -0.319573D+01 -0.108270D+02  0.422798D+00 -0.107429D+01  0.177530D+01
      3  -0.691545D+01 -0.892183D+01 -0.315006D+01 -0.312856D+01 -0.964171D+00
      4   0.132804D+02  0.788715D+01  0.107831D+02  0.440983D+01  0.525017D+01
      5   0.380993D+01  0.190443D+02  0.141488D+01  0.526275D+01  0.289356D+01
      6   0.178037D+01  0.531597D+01  0.257132D+01  0.254817D+01  0.408512D+01
               106           107           108           109           110 
      1   0.321008D+02  0.338585D+01  0.176215D+02  0.234202D+02  0.886064D+01
      2  -0.183246D+02  0.428247D+00 -0.132303D+02 -0.133876D+02 -0.426515D+01
      3  -0.137761D+02 -0.381409D+01 -0.439122D+01 -0.100326D+02 -0.459550D+01
      4   0.147669D+02  0.109527D+02  0.121966D+02  0.182270D+02  0.108596D+02
      5   0.266812D+02  0.779972D+01  0.210819D+02 -0.173078D+02 -0.750023D+01
      6   0.769409D+01  0.477478D+01  0.633190D+01 -0.769358D+01 -0.441448D+01
               111           112           113           114           115 
      1  -0.823962D+01  0.696972D+01 -0.107341D+01 -0.117030D+01 -0.171942D+02
      2   0.555904D+01 -0.223168D+01  0.423594D+01 -0.929908D+00  0.128348D+02
      3   0.268058D+01 -0.473804D+01 -0.316253D+01  0.210021D+01  0.435933D+01
      4  -0.932553D+01  0.140310D+02  0.105013D+02 -0.111631D+02 -0.213827D+02
      5   0.183014D+02 -0.803102D+01 -0.960737D+01  0.926888D+01  0.334557D+02
      6   0.642747D+01 -0.666413D+01 -0.719638D+01  0.878788D+01  0.142485D+02
               116           117           118           119           120 
      1  -0.285620D+01  0.934584D+01 -0.307921D+01  0.508886D+00 -0.186493D+01
      2   0.169024D+00 -0.142893D+02 -0.515190D+01  0.850731D+00 -0.409780D+01
      3   0.268718D+01  0.494344D+01  0.823111D+01 -0.135962D+01  0.596274D+01
      4  -0.191576D+02  0.200564D+02  0.188250D+00  0.426406D+01  0.423102D+00
      5   0.158282D+02 -0.372330D+02  0.861532D+01 -0.939766D+00  0.127933D+02
      6   0.119274D+02 -0.178078D+02  0.633908D+00  0.138451D+01 -0.103186D-01
               121           122           123           124           125 
      1   0.743041D+01 -0.494767D+01  0.283356D+01 -0.103006D+02  0.302326D+00
      2  -0.205956D+01 -0.300439D+00  0.107681D+01 -0.615069D+01  0.338361D+01
      3  -0.537085D+01  0.524811D+01 -0.391037D+01  0.164513D+02 -0.368594D+01
      4   0.409637D+01  0.801612D+00  0.297636D+01  0.115655D+01  0.379668D+01
      5  -0.152686D+01  0.307351D+01 -0.247280D+01  0.181447D+02 -0.283285D+01
      6   0.144713D+01 -0.164772D+01  0.727721D+01  0.148526D+01  0.455649D+01
               126           127           128           129           130 
      1  -0.249429D+02 -0.267057D+01  0.779014D+01 -0.534563D+01  0.458027D+01
      2  -0.193682D+02  0.271379D+01 -0.997543D+01  0.515845D+01 -0.541302D+01
      3   0.443111D+02 -0.432214D-01  0.218529D+01  0.187177D+00  0.832747D+00
      4  -0.609968D+00 -0.492480D+01  0.575083D+00 -0.229449D+01  0.233537D+01
      5   0.240266D+02 -0.372175D+00  0.576787D+00 -0.751410D+00  0.553590D+00
      6   0.774604D+00 -0.570510D+01  0.389831D+01 -0.574644D+01  0.269662D+01
               131           132           133           134           135 
      1  -0.133120D+02  0.510448D+01 -0.926256D+01  0.979287D+01 -0.138410D+02
      2   0.158457D+02 -0.522737D+01  0.636841D+01 -0.107820D+02  0.959461D+01
      3  -0.253370D+01  0.122896D+00  0.289415D+01  0.989116D+00  0.424637D+01
      4  -0.101143D+00  0.846954D+00 -0.481352D+01 -0.864017D+00 -0.859542D+00
      5  -0.844644D+00  0.154986D+01 -0.428247D+00  0.256280D+01 -0.410174D+01
      6  -0.482979D+01  0.881181D+01 -0.464803D+01  0.115366D+02 -0.130149D+02
               136           137           138           139           140 
      1  -0.935613D+00  0.354715D+01  0.326666D+00  0.183166D+01 -0.321126D+02
      2   0.252038D+01 -0.189164D+01  0.711353D+00  0.706973D+00  0.427870D+02
      3  -0.158477D+01 -0.165551D+01 -0.103802D+01 -0.253864D+01 -0.106744D+02
      4   0.554426D+01  0.844117D+01  0.345078D+01  0.838956D+01  0.210856D+02
      5   0.895610D+00  0.331831D+01  0.392306D+01  0.251977D+01  0.908799D+01
      6   0.341693D+01  0.120402D+01 -0.873521D-01  0.176249D+01  0.275907D+02
               141           142           143           144           145 
      1  -0.153948D+02 -0.388957D+00 -0.226726D+02 -0.187638D+02 -0.768671D+01
      2   0.170630D+02  0.255079D+01  0.237323D+02  0.136268D+02  0.685262D+01
      3  -0.166819D+01 -0.216184D+01 -0.105973D+01  0.513700D+01  0.834092D+00
      4   0.980320D+01  0.496633D+01  0.154211D+02  0.965479D+01  0.248427D+01
      5   0.587199D+01  0.342223D+01  0.100083D+02  0.847143D+01  0.358451D+01
      6   0.195221D+02  0.124608D+01  0.264030D+02  0.222540D+02  0.611720D+01
               146           147           148           149           150 
      1  -0.110928D+02 -0.665361D+01 -0.902615D+01 -0.224412D+02 -0.701381D+01
      2   0.120950D+02  0.190010D+01  0.105904D+02  0.253421D+02  0.219334D+01
      3  -0.100216D+01  0.475350D+01 -0.156425D+01 -0.290086D+01  0.482047D+01
      4   0.623717D-01  0.118008D+01  0.212007D+01 -0.629230D+01 -0.256405D+01
      5   0.457426D+01  0.273103D+01  0.631552D+01  0.256004D+01 -0.217126D+01
      6   0.999299D+01  0.368150D+01  0.711595D+01  0.182143D+02  0.932327D+01
               151           152           153           154           155 
      1  -0.172979D+01 -0.710408D+00 -0.241647D+01 -0.616071D+01  0.263682D+01
      2  -0.265984D+00 -0.193917D+01  0.765474D+00 -0.188312D+01  0.334379D+01
      3   0.199577D+01  0.264958D+01  0.165099D+01  0.804383D+01 -0.598061D+01
      4   0.132767D+01  0.556006D+00 -0.421265D+00  0.274501D+01 -0.305319D+01
      5   0.303391D+01 -0.213767D+00 -0.309517D-01  0.169747D+01 -0.618225D+00
      6   0.172682D+01  0.535047D+01  0.208367D+01 -0.231397D+01  0.557141D+01
               156           157           158           159           160 
      1  -0.921054D+01  0.466023D+01 -0.951064D+01  0.105167D+02 -0.524075D+01
      2  -0.209894D+01  0.130978D+01  0.155187D+01  0.441796D+01 -0.147755D+01
      3   0.113095D+02 -0.597001D+01  0.795877D+01 -0.149347D+02  0.671830D+01
      4   0.339519D+01 -0.357045D+01  0.732665D+01 -0.477241D+01  0.335550D+01
      5   0.343003D+01 -0.154808D+01  0.131560D+00  0.408335D+01  0.537296D+01
      6  -0.284259D+01  0.413912D+01 -0.866930D+01  0.596185D+01 -0.342852D+01
               161           162           163           164           165 
      1   0.623104D+01 -0.102579D+02  0.161789D+02 -0.192887D+01 -0.391404D+01
      2   0.274396D+01 -0.687445D+01 -0.180700D+02  0.347860D+01  0.159328D+02
      3  -0.897500D+01  0.171323D+02  0.189105D+01 -0.154973D+01 -0.120187D+02
      4  -0.321438D+01  0.352634D+01 -0.139407D+02  0.102651D+02  0.106976D+02
      5  -0.495248D+00 -0.197312D+01 -0.346090D+02  0.111904D+02  0.325077D+02
      6   0.655395D+01 -0.464854D+01  0.921939D+01 -0.766992D+01 -0.102991D+02
               166           167           168           169           170 
      1  -0.109884D+01 -0.193340D+01 -0.142933D+01 -0.386841D+01 -0.115872D+01
      2   0.187085D+01  0.356328D+00 -0.506148D+00  0.130095D+02 -0.205788D+01
      3  -0.772018D+00  0.157707D+01  0.193548D+01 -0.914111D+01  0.321661D+01
      4   0.771591D+01 -0.621585D+01 -0.754971D+01  0.856893D+01 -0.622311D+01
      5   0.654947D+01 -0.766470D+01 -0.628170D+01  0.253442D+02 -0.886560D+01
      6  -0.519960D+01  0.646734D+01  0.839978D+01 -0.792933D+01  0.768147D+01
               171           172           173           174           175 
      1  -0.299400D+01  0.162741D+02 -0.268466D+01  0.980917D+01  0.490494D+01
      2  -0.170055D+02 -0.118559D+02  0.126493D+01 -0.108235D+02 -0.365575D+01
      3   0.199995D+02 -0.441827D+01  0.141973D+01  0.101428D+01 -0.124919D+01
      4  -0.893398D+01 -0.649140D+01  0.354947D+01 -0.135222D+01  0.124036D+01
      5  -0.297500D+02  0.146576D+02  0.110778D+01  0.196972D+02  0.666508D+01
      6   0.110860D+02 -0.307530D+01 -0.174509D-01 -0.589108D+01 -0.348063D+00
               176           177           178           179           180 
      1  -0.189495D+01  0.502393D+01  0.132712D+02  0.285009D+01  0.893649D+01
      2   0.203918D+00 -0.735031D+01 -0.145564D+02 -0.508057D+01 -0.246803D+02
      3   0.169103D+01  0.232638D+01  0.128526D+01  0.223048D+01  0.157438D+02
      4   0.332687D+01  0.424197D+01 -0.504224D+01  0.835603D+01 -0.529885D+01
      5   0.459966D+01  0.932409D+01  0.273028D+02 -0.112473D+01  0.472433D+02
      6   0.153558D+00  0.187181D+01 -0.847030D+01  0.528324D+01 -0.169562D+02
               181           182           183           184           185 
      1  -0.804133D+01 -0.213726D+02  0.266025D+01 -0.148227D+02 -0.350460D+02
      2   0.866877D+01  0.236153D+02 -0.288315D+01  0.110954D+02  0.476989D+02
      3  -0.627438D+00 -0.224266D+01  0.222897D+00  0.372730D+01 -0.126529D+02
      4   0.194534D+00 -0.762512D+01  0.352193D+01  0.535028D+01 -0.281446D+02
      5  -0.287191D+01  0.189842D+01 -0.911221D+00 -0.107762D+01  0.263372D+01
      6  -0.106227D+01 -0.674595D+01  0.456161D+01 -0.262475D+01 -0.125192D+02
               186           187           188           189           190 
      1   0.677487D+01 -0.146001D+00  0.649060D+01 -0.349706D+01  0.633958D+02
      2  -0.615938D+01 -0.149506D+01 -0.439167D+01  0.265358D+01 -0.248600D+02
      3  -0.615493D+00  0.164106D+01 -0.209893D+01  0.843475D+00 -0.385358D+02
      4   0.372882D+01  0.229567D+01  0.104665D+01 -0.349242D+01 -0.429836D+02
      5  -0.408959D+01  0.332398D+01 -0.357153D+01  0.439368D+01 -0.145541D+02
      6   0.854354D+01  0.771669D+00  0.839840D+01 -0.435496D+01  0.730804D+01
               191           192           193           194           195 
      1  -0.206532D+02 -0.148470D+02 -0.120679D+02  0.506114D+01  0.414101D+01
      2   0.421377D+01  0.461002D+01  0.101224D+00  0.544069D+01 -0.336086D-01
      3   0.164394D+02  0.102369D+02  0.119667D+02 -0.105018D+02 -0.410740D+01
      4   0.246039D+02  0.105884D+02  0.206411D+02 -0.173558D+02 -0.679919D+01
      5   0.585487D+01  0.151843D+02  0.461418D+01 -0.480601D+01 -0.241444D+01
      6  -0.393868D+01 -0.732422D+01 -0.373589D+01  0.197507D+01  0.352017D+01
               196           197           198           199           200 
      1  -0.286928D+02  0.970138D+01  0.128327D+02  0.854914D+00  0.160873D+01
      2   0.970892D+01 -0.352895D+00 -0.770833D+01 -0.111706D+01 -0.698168D-01
      3   0.189838D+02 -0.934849D+01 -0.512434D+01  0.262141D+00 -0.153892D+01
      4   0.237835D+02 -0.177896D+02 -0.103986D+02  0.387821D+01  0.560227D+01
      5   0.188118D+02 -0.719054D+01 -0.121377D+02 -0.141310D+01 -0.199397D+01
      6  -0.899548D+01  0.489441D+01  0.668831D+01 -0.246269D+01 -0.632350D+00
               201           202           203           204           205 
      1  -0.150479D+01  0.200210D+01 -0.128342D+02  0.587165D+01 -0.143179D+01
      2   0.609258D+00 -0.436213D+00  0.126030D+02 -0.256408D+01  0.297530D+01
      3   0.895533D+00 -0.156589D+01  0.231210D+00 -0.330758D+01 -0.154352D+01
      4  -0.114342D+01  0.501762D+01  0.886922D+01 -0.294740D+01 -0.138996D+01
      5   0.147443D+01 -0.235547D+01 -0.382658D+01  0.248537D+01  0.218879D+01
      6   0.483675D+00 -0.729663D+00 -0.109840D+02  0.634107D+01  0.222687D+01
               206           207           208           209           210 
      1   0.491802D+01 -0.109510D+01 -0.860507D+00 -0.106537D+01  0.148645D+00
      2  -0.240579D+01  0.684919D+00  0.265205D+01  0.578122D+00  0.167358D-02
      3  -0.251224D+01  0.410186D+00 -0.179155D+01  0.487251D+00 -0.150318D+00
      4  -0.104734D+01  0.577497D+00 -0.108465D+01  0.581492D+01 -0.110440D+01
      5   0.173620D+01 -0.126736D+00  0.873498D+00 -0.584794D+00  0.797982D+00
      6   0.462263D+01 -0.359783D+01 -0.507687D+00  0.126989D+01 -0.162904D+00
               211           212           213           214           215 
      1  -0.541825D+01 -0.214433D+02  0.334370D+01  0.254167D+01  0.532015D+01
      2   0.263794D+01  0.272900D+02 -0.324423D+01 -0.397093D+00 -0.552877D+01
      3   0.278031D+01 -0.584670D+01 -0.994697D-01 -0.214458D+01  0.208619D+00
      4   0.305851D+01 -0.207629D+02  0.317806D+01 -0.130149D+01  0.539763D+01
      5  -0.486637D+00  0.240905D+01 -0.229226D+01 -0.889344D+00 -0.244095D+01
      6   0.432362D+00 -0.185175D+01  0.470420D+01  0.151264D+01  0.386575D+01
               216           217           218           219           220 
      1  -0.410635D+01  0.549187D+01  0.655545D+01 -0.620882D+01  0.514837D+01
      2   0.316875D+01 -0.394010D+01 -0.485931D+01  0.207371D+01 -0.237841D+01
      3   0.937596D+00 -0.155177D+01 -0.169614D+01  0.413510D+01 -0.276997D+01
      4  -0.294662D+01  0.228166D+01 -0.331767D+01 -0.967443D+00  0.339529D+01
      5   0.175254D+01 -0.305873D+01  0.426177D+00 -0.748180D+00 -0.976395D-01
      6  -0.230535D+01 -0.222345D+01  0.131942D+01 -0.292444D+01 -0.975371D+00
               221           222           223           224           225 
      1  -0.790660D+01  0.488467D+01 -0.916520D+01  0.513794D+01 -0.171093D+02
      2   0.662536D+01 -0.385315D+01  0.509947D+01 -0.267418D+01 -0.394645D+01
      3   0.128125D+01 -0.103151D+01  0.406573D+01 -0.246376D+01  0.210557D+02
      4   0.845065D+01 -0.606027D+01 -0.108813D+02 -0.167977D+02  0.148516D+02
      5  -0.656316D+01  0.877095D+01  0.101642D+02  0.170561D+02 -0.452276D+02
      6  -0.563143D+01  0.988446D+01  0.394400D+01  0.142339D+02 -0.245471D+02
               226           227           228           229           230 
      1   0.895327D+02  0.212630D+02  0.641199D+01  0.712685D+01  0.732392D+01
      2  -0.408124D+02 -0.608600D+01 -0.282803D+01  0.782268D+00  0.283225D-01
      3  -0.487203D+02 -0.151770D+02 -0.358395D+01 -0.790912D+01 -0.735224D+01
      4   0.443084D+02  0.227848D+02  0.358853D+01  0.149307D+02  0.954399D+01
      5   0.359101D+01  0.130589D+01  0.123482D+02  0.990711D+00  0.193931D+01
      6   0.310813D+01  0.633449D+00  0.428961D+01  0.323030D-01  0.111134D+01
               231           232           233           234           235 
      1   0.493015D+00  0.132103D+02  0.311197D+01  0.784297D+01 -0.539782D+01
      2   0.911085D+00 -0.646278D+01  0.559580D-01 -0.469852D+01  0.537929D+01
      3  -0.140410D+01 -0.674755D+01 -0.316793D+01 -0.314445D+01  0.185295D-01
      4   0.235785D+01  0.757762D+01  0.526653D+01  0.690503D+01 -0.617822D+00
      5   0.229680D+01  0.128768D+02  0.551929D+01  0.254440D+01  0.449705D+01
      6   0.233429D+01  0.422062D+01  0.346236D+01  0.684265D+00  0.352601D+01
               236           237           238           239           240 
      1   0.156719D+02  0.940104D+01  0.156583D+02 -0.216779D+02 -0.896903D+01
      2  -0.160489D+02 -0.669867D+01 -0.100548D+02  0.275704D+02  0.100719D+02
      3   0.376994D+00 -0.270238D+01 -0.560356D+01 -0.589259D+01 -0.110286D+01
      4  -0.103804D+02 -0.494214D+00  0.327773D+01  0.211715D+02  0.644455D+01
      5  -0.238471D+01 -0.576646D+01 -0.331291D+01  0.782491D+01  0.996368D+01
      6  -0.469120D+01 -0.554706D+01 -0.212228D+01  0.892461D+01  0.867533D+01
               241           242           243 
      1   0.106489D+02 -0.106686D+02 -0.133340D+02
      2  -0.530284D+01  0.130725D+02  0.851952D+01
      3  -0.534602D+01 -0.240394D+01  0.481447D+01
      4   0.358394D+01  0.134769D+02  0.901849D+01
      5  -0.505327D+00  0.111527D+02  0.754648D+01
      6  -0.158835D+01  0.119193D+02  0.815059D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133938D+03      0.198476D+02      0.220834D+02
   aniso      0.646464D+02      0.957961D+01      0.106587D+02
   xx         0.174092D+03      0.257978D+02      0.287039D+02
   yx        -0.561421D+01     -0.831940D+00     -0.925658D+00
   yy         0.123502D+03      0.183011D+02      0.203628D+02
   zx         0.697644D+01      0.103380D+01      0.115026D+01
   zy        -0.326478D+01     -0.483791D+00     -0.538290D+00
   zz         0.104220D+03      0.154438D+02      0.171836D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133938D+03      0.198476D+02      0.220834D+02
   aniso      0.646464D+02      0.957961D+01      0.106587D+02
   xx         0.114944D+03      0.170330D+02      0.189517D+02
   yx        -0.135606D+02     -0.200947D+01     -0.223584D+01
   yy         0.120778D+03      0.178974D+02      0.199135D+02
   zx        -0.172921D+02     -0.256242D+01     -0.285107D+01
   zy         0.112337D+02      0.166466D+01      0.185218D+01
   zz         0.166093D+03      0.246124D+02      0.273850D+02

 ----------------------------------------------------------------------
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 Everywhere is walking distance if you have the time.
                                    -- Steven Wright
 Job cpu time:       0 days  5 hours  2 minutes 41.6 seconds.
 Elapsed time:       0 days  0 hours 37 minutes 56.4 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:32:53 2021.
